Basic information
- CAS
102571-00-6- Standard SMILES
NCC(CC(N)=O)c1ccccc1- InChIKey
VMVHUHPUIHFCLP-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- 4-Amino-3-phenylbutanimidic acid
- IUPAC
- 4-amino-3-phenylbutanamide
- English name
- 4-amino-3-phenyl-butanamide
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
102571-00-64-Amino-3-phenylbutanimidic acidDTXSID20907724RefChem:1070264DTXCID7013368134-amino-3-phenylbutanamidebeta-(Aminomethyl)hydrocinnamamideButyramide, 4-amino-3-phenyl-4-Amino-3-phenyl-butyramideHYDROCINNAMAMIDE, beta-(AMINOMETHYL)-4-AMINO-3-PHENYL-BUTANAMIDESCHEMBL7170700
Show more names
Benzenepropanamide, β-(aminomethyl)-
SCHEMBL27691658Benzenepropanamide, beta-(aminomethyl)-
Database identifiers
- CAS
102571-00-6- PubChem CID
- 59486
- DTXSID
DTXSID20907724- Nikkaji
- J77.810I
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 388.5 · 388.5±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 16.3 · 16.30±0.40(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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