3-Amino-3-(4-fluorophenyl)propanoic acid
Properties
- Molecular formula
- C9H10FNO2
- Molar mass
- 183.18 g/mol
- Exact mass
- 183.0696 Da
- logP
- 1.30Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed16.7% of notifiers
- H312 Harmful in contact with skin16.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled16.7% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
325-89-3SMILES
C1=CC(=CC=C1C(CC(=O)O)N)FInChIKey
CPGFMWPQXUXQRX-UHFFFAOYSA-NInChI
InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Amino-3-(4-fluorophenyl)propanoic 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
(+)-3-Amino-3-phenylpropanoic acid13921-90-968 % similar
(-)-3-Amino-3-phenylpropanoic acid40856-44-868 % similar
DL-β-Phenylalanine614-19-768 % similar
(S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-367 % similar
(βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-467 % similar
3-Amino-3-(4-chlorophenyl)propionic acid19947-39-867 % similar
(S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-367 % similar
(r)-3-(p-Bromophenyl)-beta-alanine479074-63-067 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds