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Basic information
- CAS
537-65-5- Standard SMILES
Nc1ccc(Nc2ccc(N)cc2)cc1- InChIKey
QZHXKQKKEBXYRG-UHFFFAOYSA-N- Molecular formula
- C12H13N3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.11094743
Names & identifiers
- Preferred name
- 4,4'-Diaminodiphenylamine
- IUPAC
- 4-N-(4-aminophenyl)benzene-1,4-diamine
- English name
- 4,4'-Iminodianiline
- Molecular formula
- C12H13N3
- Molecular weight
- 199.25
Names & synonyms
4,4'-Iminodianiline1,4-Benzenediamine, N-(4-aminophenyl)-Indamine4,4'-DIAMINODIPHENYLAMINEN-(4-Aminophenyl)-1,4-benzenediamineDi(p-aminophenyl)amineBis(p-aminophenyl)aminep,p'-Diaminodiphenylaminep-Phenylenediamine, N-(p-aminophenyl)-CI 76120Aniline, 4,4'-iminodi-UNII-R24HL8M2C7
Show more names
C.I.76120Diazol Black CBlue Black Base NTAzoic DC 109(base)4,4'-Diminodianilinebis(4-aminophenyl)amine4,4'-lminodianiline (NDA)N4-(4-aminophenyl)benzene-1,4-diamine
Benzenamine, 4,4'-iminobis-R24HL8M2C7EINECS 208-673-4NSC 33417NSC-33417N1-(4-Aminophenyl)-1,4-benzenediamine1,4-Benzenediamine, N1-(4-aminophenyl)-AI3-12116
Database identifiers
- CAS
537-65-5- PubChem CID
- 10841
- DTXSID
DTXSID1060217- ChEMBL
CHEMBL274986- UNII
- R24HL8M2C7
- EC Number
- 208-673-4
- Nikkaji
- J70.169F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 158 °C · 158°C
- Boiling point
- 326.78 °C · 326.78°C (rough estimate)
- Density
- 1.147 · 1.1470 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 6.15 · 6.15±0.10(Predicted)
- Appearance
- Purple to black Solid
- Cosmetics Ingredients Functions
- HAIR DYEING
- InChI
- InChI=1S/C12H13N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
- InChIKey
- QZHXKQKKEBXYRG-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=C(N)C=C2)=CC=C(N)C=C1
- FDA UNII
- 24 HL8M2C7 · R24HL8M2C7
- NIST Chemistry Reference
- 1 · 1,4-Benzenediamine, N-(4-aminophenyl)-(537-65-5)
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,4-Benzenediamine, N-(4-aminophenyl)-
Other Safety InformationIMAP assessments - Chemicals with limited data availability that may be used in hair dyes overseas: Human health tier II assessment；IMAP assessments - 1,4-Benzenediamine, N-(4-aminophenyl)-: Environment tier I assessment
Regulatory information
Regulatory InformationChemical: 1,4-Benzenediamine, N-(4-aminophenyl)-
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,4-Benzenediamine, N1-(4-aminophenyl)-: INACTIVE
Related reactions
5 records
Compound notes
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