N1-Octyl-N4-phenylbenzene-1,4-diamine
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Basic information
- CAS
1590-80-3- Standard SMILES
CCCCCCCCNc1ccc(Nc2ccccc2)cc1- InChIKey
MINNIIWBFAPUKJ-UHFFFAOYSA-N- Molecular formula
- C20H28N2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.2252489
Names & identifiers
- Preferred name
- N1-Octyl-N4-phenylbenzene-1,4-diamine
- IUPAC
- 1-N-octyl-4-N-phenylbenzene-1,4-diamine
- English name
- N-Octyl-N'-phenyl-1,4-benzenediamine
- Molecular formula
- C20H28N2
- Molecular weight
- 296.45
Names & synonyms
1590-80-3N1-OCTYL-N4-PHENYLBENZENE-1,4-DIAMINE1,4-Benzenediamine, N-octyl-N'-phenyl-MFCD35223827N1-Octyl-N4-phenyl-1,4-benzenediamine1,4-Benzenediamine, N-octyl-N'-phenyl-, radical ion(1+)34533-96-51-N-octyl-4-N-phenylbenzene-1,4-diamineN-OCTYL-N'-PHENYL-1,4-BENZENEDIAMINENSC 24031N-Octyl-N/'-phenyl-1,4-benzenediamineSCHEMBL1850990
Show more names
N-Octyl-N'-phenyl-p-phenylenediamine
DTXSID8073267MINNIIWBFAPUKJ-UHFFFAOYSA-NNSC24031NSC-240311,4-Benzenediamine,n1-octyl-n4-phenyl-SY4904461,4-Benzenediamine, N1-octyl-N4-phenyl-DS-008392
Database identifiers
- CAS
1590-80-3、34533-96-5- PubChem CID
- 74122
- DTXSID
DTXSID8073267- Nikkaji
- J153.122K
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N-octyl-N'-phenyl- (1590-80-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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