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Diss Factsheets
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EC number: 226-033-2 | CAS number: 5235-82-5
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 85
- Absorption rate - dermal (%):
- 99.5
- Absorption rate - inhalation (%):
- 75.5
Additional information
Experimental data on absorption, distribution, metabolism and excretion (ADME) are not available for 4-(3-(1-naphthylamino)propylmorpholine. To assess the ADME potential of 4-(3-(1-naphthylamino)propylmorpholine in humans, the widely accepted QSAR programs, ADMET predictor (v7.2, Simulations Plus Inc, Lancaster, CA, USA),andGastroPlus (v9.0, Simulations Plus Inc, Lancaster, CA, USA)were used.
At 1 mg/kg exposure dose level in a fed 30-year old human (70 kg),the predicted fractional absorption (Fa%) values for oral, dermal, and inhalation exposures to 4-(3-(1-naphthylamino)propylmorpholine by GastroPlus are 100%, 99.8%, and 81.7%, respectively; the predicted systemic bioavailability (F%) values for 4-(3-(1-naphthylamino)propylmorpholine from oral, dermal, and inhalation exposures are 84.7%, 99.5%, and 75.5%, respectively; the predicted Cmaxvalues are 0.251, 0.0851, and 0.130µg/mL respectively. At the dermal exposure level of 3.00 mg/kg, the predicted Cmaxis only 0.256µg/m, indicating that a dermal exposure of approximately 3.00 mg/kg is required to produce the oral Cmaxlevel of 0.251µg/mL. The predicted human plasma protein binding upon absorption for 4-(3-(1-naphthylamino)propylmorpholine is 91.4%. The volume of distribution in humans is estimated to be low (3.99 L/kg).
Based on the metabolism prediction by ADMET predictor, 4-(3-(1-naphthylamino)propylmorpholine will be metabolized to hydroxylated metabolites (by human CYP 3A4, CYP 1A2, CYP 2C19, CYP 2D6). Some of the oxazolidine ring hydroxylated metabolites will be further converted to the corresponding aldehydes. The formed hydroxylated metabolites can also be further metabolized to water soluble metabolites (such as glucuronides and sulfates), which will be mainly excreted into urine and feces. The formed aldehydes will be further metabolized to the corresponding acids which will be excreted in urine.
On the basis of low volume of distribution, and predicted metabolism and excretion, 4-(3-(1-naphthylamino)propylmorpholine is not expected to bioaccumulate in humans.
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