Basic information
- CAS
88520-97-2- Standard SMILES
CCCCCCCCc1c(N)ccc(N)c1CCCCCCCC- InChIKey
NYKPMDFDQLCJRT-UHFFFAOYSA-N- Molecular formula
- C22H40N2
- Average molar mass
- 332.6 g/mol
- Monoisotopic mass
- 332.31914928
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, dioctyl-
- IUPAC
- 2,3-dioctylbenzene-1,4-diamine
Names & synonyms
1,4-Benzenediamine, dioctyl-88520-97-2DTXSID4073700RefChem:219982DTXCID40486402,3-dioctylbenzene-1,4-diamineSCHEMBL294503
Database identifiers
- CAS
88520-97-2- PubChem CID
- 174693
- DTXSID
DTXSID4073700
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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