Basic information
- CAS
103095-38-1- Standard SMILES
Br.NCC(CC(=O)O)c1ccccc1- InChIKey
VXLLPVJWQLZPIH-UHFFFAOYSA-N- Molecular formula
- C10H14BrNO2
- Average molar mass
- 260.13 g/mol
- Monoisotopic mass
- 259.02079
Names & identifiers
- Preferred name
- 4-Amino-3-phenylbutyric acid hydrobromide
- IUPAC
- 4-amino-3-phenylbutanoic acid;hydrobromide
Names & synonyms
4-Amino-3-phenylbutyric acid hydrobromideUNII-I3L301AL5AI3L301AL5A4-Amino-3-phenylbutyric acid hydrobromide [MI]103095-38-1(+/-)-4-amino-3-phenylbutyric acid hydrobromide4-Amino-3-phenylbutyric acid hydrobromide, (+/-)-beta-(Aminomethyl)benzenepropanoic acid hydrobromideHydrocinnamic acid, beta-(aminomethyl)-, hydrobromideBenzenepropanoic acid, beta-(aminomethyl)-, hydrobromide (1:1)4-Amino-3-phenylbutanoic acid hydrobromideNIOSH/ES7185000
Show more names
ES71850000beta-Phenyl-gamma-aminobutyric acid hydrobromideButyric acid, 4-amino-3-phenyl-, hydrobromidebeta-(Aminomethyl)hydrocinnamic acid hydrobromideQ27280332.BETA.-(AMINOMETHYL)BENZENEPROPANOIC ACID HYDROBROMIDEHYDROCINNAMIC ACID, .BETA.-(AMINOMETHYL)-, HYDROBROMIDEBENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-, HYDROBROMIDE (1:1)
Database identifiers
- CAS
103095-38-1- PubChem CID
- 3027833
- UNII
- I3L301AL5A
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…