Basic information
- CAS
3698-81-5- Standard SMILES
CCCCCCCNc1ccc(Nc2ccccc2)cc1- InChIKey
KEQYTZYRIUXZOW-UHFFFAOYSA-N- Molecular formula
- C19H26N2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.20959884
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N-heptyl-N'-phenyl-
- IUPAC
- 1-N-heptyl-4-N-phenylbenzene-1,4-diamine
Names & synonyms
1,4-Benzenediamine, N-heptyl-N'-phenyl-3698-81-5p-Phenylenediamine, N-heptyl-N-phenyl-N-Heptyl-N'-phenyl-p-phenylenediaminep-Phenylenediamine, N-heptyl-N'-phenyl-SCHEMBL1851675DTXSID4073964N-Heptyl-N-phenyl-p-phenylenediamineN1-Heptyl-N4-phenyl-1,4-benzenediamineN~1~-Heptyl-N~4~-phenylbenzene-1,4-diamine
Database identifiers
- CAS
3698-81-5、5149-33-7- PubChem CID
- 77285
- DTXSID
DTXSID4073964- Nikkaji
- J153.121B
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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