2-Phenylbutane-1,2-diamine
Basic information
- CAS
5062-64-6- Standard SMILES
CCC(N)(CN)c1ccccc1- InChIKey
CBBWBITZUIWDJB-UHFFFAOYSA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134851
Names & identifiers
- Preferred name
- 2-Phenylbutane-1,2-diamine
- IUPAC
- 2-phenylbutane-1,2-diamine
- English name
- 2-Phenyl-1,2-butanediamine
- Molecular formula
- C10H16N2
- Molecular weight
- 164.25
Names & synonyms
2-phenylbutane-1,2-diamine5062-64-6DTXSID20964857RefChem:1064159DTXCID1013925402-Phenyl-1,2-butanediaminePhenyl-2 butanediamine-1,2BRN 20845661,2-Diaminobutane, 2-phenyl-1,2-BUTANEDIAMINE, 2-PHENYL-SCHEMBL7004942CBBWBITZUIWDJB-UHFFFAOYSA-N
Show more names
AKOS015890272
Database identifiers
- CAS
5062-64-6- PubChem CID
- 21149
- DTXSID
DTXSID20964857- Nikkaji
- J42.718G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 138 °C · 138 °C(Press: 1.5 Torr)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- pka
- 10.03 · 10.03±0.10(Predicted)
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Related reactions
5 records
Compound notes
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