N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
Basic information
- CAS
61931-82-6- Standard SMILES
CC(C)CC(C)N(c1ccccc1)c1ccc(N)cc1- InChIKey
KZTCAXCBXSIQSS-UHFFFAOYSA-N- Molecular formula
- C18H24N2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.19394877
Names & identifiers
- Preferred name
- N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
- IUPAC
- 4-N-(4-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine
- English name
- N-(1,3-DIMETHYLBUTYL)-N'-PHENYL-P-PHENYLENEDIAMINE
- Molecular formula
- C18H24N2
- Molecular weight
- 268.4
Names & synonyms
N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine61931-82-6DTXSID3044966N-(1,3-Dimethylbutyl)-N-phenyl-p-phenylenediamineUZ1X5059GQEINECS 263-339-51,4-Benzenediamine, N-(1,3-dimethylbutyl)-N-phenyl-DTXCID10249661,4-Benzenediamine, N1-(1,3-dimethylbutyl)-N1-phenyl-N-(1,3-Dimethylbutyl)-N-phenylbenzene-1,4-diamineN-(1,3-DIMETHYLBUTYL)-N-PHENYL-P-PHENYLENE DIAMINERefChem:827824
Show more names
6PPDANTOZITE 67PSANTOFLEX(R) 13 PASTILLES4-[(4-METHYL-2-PENTYL)AMINO]DIPHENYLAMINEN-(1,3-Dimethylbutyl)-N-phenyl-1,4-benzenediamineN-(4-METHYL-2-PENTYL)-N'-PHENYL-1,4-PHENYLENEDIAMINEN-(1,3-DIMETHYLBUTYL)-N'-PHENYL-1,4-PHENYLENEDIAMINE
4-N-(4-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamineUNII-UZ1X5059GQSCHEMBL105667CHEMBL3183632KZTCAXCBXSIQSS-UHFFFAOYSA-NTox21_301410NCGC00256176-01CAS-61931-82-6
Database identifiers
- CAS
61931-82-6- PubChem CID
- 93335
- DTXSID
DTXSID3044966- ChEMBL
CHEMBL3183632- UNII
- UZ1X5059GQ
- EC Number
- 263-339-5
- Nikkaji
- J306.949D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Collision Cross Section172.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3044966]
Physicochemical properties
- Boiling point
- 420.3 · 420.3±28.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 4.98 · 4.98±0.10(Predicted)
- FDA UNII
- 1 X5059GQ · UZ1X5059GQ
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N-phenyl- (61931-82-6)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H410-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P273-P391-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N-phenyl-
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N-phenyl-: Non hazardous
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H317-H410-H400
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, N1-(1,3-dimethylbutyl)-N1-phenyl-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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