1,4-Benzenediamine, N1,N4-bis(1-methylheptylidene)-
Basic information
- CAS
68123-09-1- Standard SMILES
CCCCCCC(C)=Nc1ccc(N=C(C)CCCCCC)cc1- InChIKey
JWJHHWVHDVQCJL-UHFFFAOYSA-N- Molecular formula
- C22H36N2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.28784916
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N1,N4-bis(1-methylheptylidene)-
- IUPAC
- N-[4-(octan-2-ylideneamino)phenyl]octan-2-imine
- English name
- N,N'-bis(1-methylheptylidene)benzene-1,4-diamine
- Molecular formula
- C22H36N2
- Molecular weight
- 328.53
Names & synonyms
EINECS 268-540-1N,N'-Bis(1-methylheptylidene)-1,4-benzenediamine1,4-Benzenediamine, N1,N4-bis(1-methylheptylidene)-RefChem:41590668123-09-11,4-Benzenediamine, N,N'-bis(1-methylheptylidene)-N,N'-Bis(1-methylheptylidene)benzene-1,4-diamineDTXSID6071116JWJHHWVHDVQCJL-UHFFFAOYSA-NN,N'-(1,4-Phenylene)di(octan-2-imine)NS00036416
Database identifiers
- CAS
68123-09-1- PubChem CID
- 106641
- DTXSID
DTXSID6071116- EC Number
- 268-540-1
- Nikkaji
- J317.336D
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 171 · 171-180 °C(Press: 0.3 Torr)
- Density
- 0.9 · 0.90±0.1 g/cm3(Predicted)
- pka
- 7.93 · 7.93±0.50(Predicted)
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N,N'-bis(1-methylheptylidene)- (68123-09-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, N1,N4-bis(1-methylheptylidene)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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