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Density

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Reference
Endpoint:
density, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: modelling database
Justification for type of information:
Data is from modelling database developed by US-EPA
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
The density of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is estimated.
GLP compliance:
not specified
Type of method:
other: no data
Specific details on test material used for the study:
- Name of test material: 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride / Basic Red 12 / C.I. 48070
- IUPAC name: 1,3,3-trimethyl-2-[(1E)-3-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-3H-indol-1-ium chloride
- Molecular formula: C25H29ClN2
- Molecular weight: 392.971 g/mole
- Smiles : c12c(C(C)(C)C(\N1C)=C/C=C/C=1C(c3ccccc3[N+]1C)(C)C)cccc2.[ClH-]
- Inchl: 1S/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid crystalline powder (Violet)
Key result
Type:
density
Density:
1.06 g/cm³
Remarks on result:
other: estimated value
Conclusions:
The density of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is estimated to be 1.06 g/cm³.
Executive summary:

Based on prediction done from CompTox Chemistry Dashboard, the density of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene) prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is estimated to be 1.06 g/cm³.

Description of key information

The density of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is estimated to be 1.06 g/cm³.

Key value for chemical safety assessment

Relative density at 20C:
1.06

Additional information

Based on prediction done from CompTox Chemistry Dashboard, the density of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene) prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride (CAS no. 6320-14-5) is estimated to be 1.06 g/cm³.