Basic information
- CAS
4961-19-7- Standard SMILES
CCCCCNc1ccc(Nc2ccccc2)cc1- InChIKey
FXAPKODDEVWFHP-UHFFFAOYSA-N- Molecular formula
- C17H22N2
- Average molar mass
- 254.37 g/mol
- Monoisotopic mass
- 254.17829871
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N-pentyl-N'-phenyl-
- IUPAC
- 1-N-pentyl-4-N-phenylbenzene-1,4-diamine
Names & synonyms
1,4-Benzenediamine, N-pentyl-N'-phenyl-N-Pentyl-N'-phenyl-p-phenylenediaminep-Phenylenediamine, N-pentyl-N'-phenyl-DTXSID2073980RefChem:219996DTXCID00407074961-19-7SCHEMBL809502N~1~-Pentyl-N~4~-phenylbenzene-1,4-diamine
Database identifiers
- CAS
4961-19-7- PubChem CID
- 78664
- DTXSID
DTXSID2073980- Nikkaji
- J153.119K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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