(S)-3-Amino-3-(2-fluorophenyl)propanoic acid

HCID 1481546

Notes Reactions

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Basic information

CAS: 151911-32-9
Standard SMILES: N[C@@H](CC(=O)O)c1ccccc1F
InChIKey: RSCLTSJQAQBNCE-QMMMGPOBSA-N
Molecular formula: C9H10FNO2
Average molar mass: 183.18 g/mol

Names & identifiers

Preferred name: (S)-3-Amino-3-(2-fluorophenyl)propanoic acid
IUPAC: (3S)-3-amino-3-(2-fluorophenyl)propanoic acid
English name: (S)-3-Amino-3-(2-fluoro-phenyl)-propionic acid
Molecular formula: C9H10FNO2
Molecular weight: 183.18

Names & synonyms

151911-32-9(S)-3-Amino-3-(2-fluorophenyl)propanoic acid(S)-3-Amino-3-(2-fluoro-phenyl)-propionic acid(3S)-3-amino-3-(2-fluorophenyl)propanoic acid(S)-3-Amino-3-(2-fluorophenyl)propionic acidMFCD04113676(S)-beta-2-Fluorophenylalanine(S)-3-Amino-3-(2-fluorophenyl)-propionic acidH-BETA-PHE(2-F)-OH(S)-3-Amino-3-(2-fluorophenyl)propanoicacidH-b-Phe(2-F)-OHRARECHEM LK HC T305

Show more names

S-2-F-PHAH-β-Phe(2-F)-OH2-Fluoro-D-β-homophenylglycine

SCHEMBL7236109H-(S)-beta-Phe(2-F)-OHRSCLTSJQAQBNCE-QMMMGPOBSA-NH-D-BETA-HOMOPHG(2-F)-OHAKOS016842511H-D-PHG(2-F)-(C*CH2)OHAC-22030AS-66476

Database identifiers

CAS: 151911-32-9
PubChem CID: 1481546
EC Number: 681-445-3
Nikkaji: J3.104.802H

Properties

Computed structural properties

XLogP: -1.9
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 239 · 239-240 °C
Boiling point: 302.6 · 302.6±32.0 °C(Predicted)
Density: 1.289 · 1.289±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.67 · 3.67±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers54 total

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

2 records

New reaction record

HRID 339873As reactantuspto-grants-2014_11

HRID 1481220As reactantuspto-grants-2016_08

Compound notes

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