β-Amino-3-nitrobenzenepropanoic acid
Properties
- Molecular formula
- C9H10N2O4
- Molar mass
- 210.19 g/mol
- Exact mass
- 210.0641 Da
- Melting point
- 230 °C (decomposes)
- logP
- 1.07Crippen estimate
- Polar surface area
- 106.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 4
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
5678-47-7SMILES
NC(CC(=O)O)c1cccc([N+](=O)[O-])c1InChIKey
SJBFILRQMRECCK-UHFFFAOYSA-NInChI
InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzenepropanoic acid, β-amino-3-nitro-
- Hydrocinnamic acid, β-amino-m-nitro-
- NSC 40724
- 3-Amino-3-(3-nitrophenyl)propanoic acid
- 3-Amino-3-(3-nitro-phenyl)-propionic acid
Work with β-Amino-3-nitrobenzenepropanoic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
β-Amino-3-fluorobenzenepropanoic acid117391-51-261 % similar
(R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-261 % similar
3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-961 % similar
Dl-beta-(3-bromophenyl)alanine117391-50-160 % similar
(S)-3-Amino-3-(3-bromo-phenyl)-propionic acid275826-35-260 % similar
3-Amino-3-(3-methylphenyl)propanoic acid68208-17-360 % similar
β-Amino-2-nitrobenzenepropanoic acid5678-48-860 % similar
(+)-3-Amino-3-phenylpropanoic acid13921-90-959 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds