Basic information
- CAS
723284-79-5- Standard SMILES
N[C@@H](CC(=O)O)c1cccc(F)c1- InChIKey
GZNJUJNKZBHINS-QMMMGPOBSA-N- Molecular formula
- C9H10FNO2
- Average molar mass
- 183.18 g/mol
- Monoisotopic mass
- 183.06955672
Names & identifiers
- Preferred name
- (S)-3-Amino-3-(3-fluorophenyl)propanoic acid
- IUPAC
- (3S)-3-amino-3-(3-fluorophenyl)propanoic acid
Names & synonyms
723284-79-5(S)-3-Amino-3-(3-fluorophenyl)propanoic acid(s)-3-amino-3-(3-fluoro-phenyl)-propionic acid(3S)-3-amino-3-(3-fluorophenyl)propanoic acidh-beta-phe(3-f)-oh(s)-beta-(3-fluoro-phenyl)alanineMFCD04113689(s)-3-amino-3-(3-fluorophenyl)propionic acidS-3-Amino-3-(3-fluoro-phenyl)-propionic acid(S)-beta-(3-Fluorophenyl)alanineCS-W017057H-(S)-beta-Phe(3-F)-OH
Show more names
(S)-3-Amino-3-(3-fluorophenyl)propanoicacidAKOS010H-|A-Phe(3-F)-OHh-d-phg(3-f)-(c*ch2)ohSCHEMBL4011437SCHEMBL30661805DTXSID70353313AKOS010393198
Database identifiers
- CAS
723284-79-5- PubChem CID
- 738043
- DTXSID
DTXSID70353313- EC Number
- 615-753-6
- Nikkaji
- J3.104.803F
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
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, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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