Basic information
- CAS
5062-65-7- Standard SMILES
CCCC(N)(CN)c1ccccc1- InChIKey
MSHRGLIWCXUXDG-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- 1,2-Pentanediamine, 2-phenyl-
- IUPAC
- 2-phenylpentane-1,2-diamine
- English name
- 2-Phenyl-1,2-pentanediamine
- Molecular formula
- C11H18N2
- Molecular weight
- 178.27
Names & synonyms
5062-65-71,2-Pentanediamine, 2-phenyl-RefChem:10523872-Phenyl-1,2-pentanediamine2-phenylpentane-1,2-diaminePhenyl-2 pentanediamine-1,2BRN 2832099SCHEMBL1780306DTXSID80964858
Database identifiers
- CAS
5062-65-7- PubChem CID
- 199817
- DTXSID
DTXSID80964858- Nikkaji
- J49.930G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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