3-aminopropylmethylamine

Short-term toxicity to fish

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from ACD lab.

Qualifier:

according to guideline

Guideline:

other: modelling database

Principles of method if other than guideline:

The aquatic toxicity - Median Lethal Concentration (LC50, mg/L) (v5.0.0.184).The aquatic toxicity module provides the concentration of the test substance in water predicted to be lethal to 50% of the exposed individuals (LC50, mg/L) of the species Fathead minnow (Pimephales promelas). Each LC50 calculation is supported by estimated Reliability Index (RI) which allows evaluation of the quality of predictions and the applicability domain of a corresponding model.

GLP compliance:

no

Specific details on test material used for the study:

- Name of test material: (3-aminopropyl)(methyl)amine
- Molecular formula: C4H12N2
- Molecular weight: 88.1528 g/mol
- Smiles notation: N(CCCN)C
- InChl: 1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3
- Substance type: Organic
- Physical state: Liquid

Analytical monitoring:

no

Details on sampling:

No data available

Vehicle:

not specified

Test organisms (species):

Pimephales promelas

Details on test organisms:

TEST ORGANISM
- Common name: Fathead minnow

Test type:

not specified

Water media type:

not specified

Total exposure duration:

96 h

Remarks on exposure duration:

No details

Post exposure observation period:

No data available

Test temperature:

No data available

pH:

No data available

Dissolved oxygen:

No data available

Salinity:

No data available

Conductivity:

No data available

Nominal and measured concentrations:

No data available

Details on test conditions:

No data available

Reference substance (positive control):

not specified

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

740 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: Nontoxic

Details on results:

No data available

Results with reference substance (positive control):

No data available

Reported statistics and error estimates:

No data available

Validity criteria fulfilled:

not specified

Conclusions:

From ACD (Advanced Chemistry Development)/I-Lab predictive module (v5.0.0.184) the predicted Median Lethal Concentration (LC50, mg/L) for fish species Pimephales promelas of the test substance (3-aminopropyl)(methyl)amine was 740 mg/l on the basis of mortality effects.

Executive summary:

According to aquatic toxicity module i.e ACD/LabsI-Lab 2.0;Algorithm Version: v5.0.0.184 the lethal concentration (LC50) of the test substance (3-aminopropyl)(methyl)amine was predicted to be 740 mg/l on fish species Fathead minnow (Pimephales promelas).

Based on the LC50 calculation the estimated Reliability Index (RI) of test chemical (3-aminopropyl)(methyl)amine predicted to be0.7(As per model substance have moderate and high reliability ifRI > 0.5).Thus reported RII value indicate it has high reliability.And LC50 value indicate that the test substance (3-aminopropyl)(methyl)amine considered as non-toxic, and not harmful to aquatic organisms and thus cannot classified as hazardous as per the CLP criteria.

Description of key information

According to aquatic toxicity module i.eACD/LabsI-Lab 2.0;Algorithm Version: v5.0.0.184 the lethal concentration (LC50) of the test substance (3-aminopropyl)(methyl)amine was predicted to be 740 mg/l on fish species Fathead minnow (Pimephales promelas).

Based on the LC50 calculation the estimated Reliability Index (RI) of test chemical (3-aminopropyl)(methyl)amine predicted to be0.7(As per model substance have moderate and high reliability ifRI > 0.5).Thus reported RII value indicate it has high reliability.And LC50 value indicate that the test substance (3-aminopropyl)(methyl)amine considered as non-toxic, and not harmful to aquatic organisms and thus cannot classified as hazardous as per the CLP criteria.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

740 mg/L

Additional information

Based on the various experimental data and prediction data for the target chemical as well as RA chemical which was selected on the basis of structure similarity study have been reviewed to determine the toxic nature of (3-aminopropyl)(methyl)amine (6291-84-5) on the mortality of fishes. The studies are as mentioned below:

According to the first predicted report for the (3-aminopropyl)(methyl)amine (6291-84-5) from ACD labs aquatic toxicity module i.eACD/LabsI-Lab 2.0; Algorithm Version: v5.0.0.184 the lethal concentration (LC50) of the test substance (3-aminopropyl)(methyl)amine was predicted to be 740 mg/l on fish species Fathead minnow (Pimephales promelas). Based on the LC50 calculation the estimated Reliability Index (RI) of test chemical (3-aminopropyl)(methyl)amine predicted to be0.7(As per model substance have moderate and high reliability ifRI > 0.5).Thus reported RII value indicate it has high reliability. And LC50 value indicate that the test substance (3-aminopropyl)(methyl)amine considered as non-toxic, and not harmful to aquatic organisms and thus cannot classified as hazardous as per the CLP criteria.

 

In the second weight of evidence study for the (3-aminopropyl)(methyl)amine from QSAR toolbox 2017, Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Danio rerio (previous name: Brachydanio rerio) predicted for (3-aminopropyl) (methyl)amine. The LC50 value was estimated to be 562.656 mg/l when (3-aminopropyl)(methyl)amine exposed to Danio rerio (previous name: Brachydanio rerio) for 96hrs.

 

Similarly in the third weight of evidence study for the (3-aminopropyl)(methyl)amine from EPISUITE 2017, Based on the prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic fish was predicted. On the basis of this program the LC 50 value for short term toxicity to fish was predicted to be 17784.615 mg/l for (3-aminopropyl) (methyl) amine in 96 hrs. Based on this value it can be concluded that the (3-aminopropyl)(methyl)amine is considered to be not toxic to aquatic environment and cannot be classified as toxic as per the criteria mentioned in CLP regulation.

 

Similarly in the fourth weight of evidence study for the (3-aminopropyl)(methyl)amine from Danish QSAR, Prediction done using average value of both models i.e Leadscope and SciMatics SciQSAR model and the result were predicted in Battery model. Based on the Danish (Q)SAR Database, the 96hours LC50 was estimated to be 1993.621 mg/l on Pimephales promelas for substance (3-aminopropyl)(methyl)amine with mortality effects. Thus based on this value it can be concluded that the substance (3-aminopropyl)(methyl)amine cannot be classified as toxic as per the criteria of CLP regulation.

Similarly in the fifth weight of evidence study for another RA chemical n-Butylamine (109-95-2) HSDB, ECOTOX database, Evaluation of the effect of n-Butylamine on the growth and mortality rate of Leuciscus idus ssp. Melanotus for 48hrs. After the exposure of 2 days mortality was observed. Based on the rate of mortality of Leuciscus idus ssp. Melanotus due to the exposure of chemical n-Butyl - amine, the LC50 was 171 mg/l (171000 ug/L). Thus based on the LC50 value it was concluded that n-Butylamine was consider as nontoxic and can be consider to be not classified as toxic as per the CLP classification criteria.

Similarly in the sixth weight of evidence study for the RA chemicals 2–methylaminoethanol (109-83-1) IUCLID dataset. Determination of short term toxicity of chemical 2–methylaminoethanol on the growth of fishes. Fishes expose with the chemical for 96hrs, after the exposure mortality was observed. Based on the mortality of test fishes Brachdanio rerio for 96hrs due to the contact with chemical 2-Methylaminoethanol, the LC50 was > 100 mg/l. Thus based on the LC50 value it was concluded that 2–methylaminoethanol was consider as nontoxic and can be consider to be not classified as toxic as per the CLP classification criteria.

 

Thus based on the above data sources for target chemical (3-aminopropyl)(methyl)amine from various experimental studies and predicted studies from QSAR, ACD LAB, EPISUITE, HSDB, it was summarized that the chemical was nontoxic and can be consider to be not classified as toxic as per the CLP classification criteria.