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40856-44-8

40856-44-8 Structure

40856-44-8 Structure
IdentificationMore
[Name]

(S)-3-Amino-3-phenylpropanoic acid
[CAS]

40856-44-8
[Synonyms]

H-BETA-PHE-OH
RARECHEM LK HC T302
(S)-3-AMINO-3-PHENYLPROPANOIC ACID
(S)-3-AMINO-3-PHENYLPROPIONIC ACID
(S)-BETA-PHENYLALANINE
(S)-B-PHENYLALANINE
(S)-3-Amino-3-Phenylpropinic
(S)-3-PHENYL-BETA-ALANINE
H-b-Phe-OH
(S)-3-Phenyl-β-alanine
(S)-β-Aminobenzenepropionic acid
[S,(-)]-β-Aminohydrocinnamic acid
[EINECS(EC#)]

609-874-3
[Molecular Formula]

C9H11NO2
[MDL Number]

MFCD01076238
[Molecular Weight]

165.19
[MOL File]

40856-44-8.mol
Chemical PropertiesBack Directory
[Melting point ]

251-253 °C(Solv: water (7732-18-5); acetone (67-64-1))
[Boiling point ]

307.5±30.0 °C(Predicted)
[density ]

1.198±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Aqueous Acid (Sparingly)
[form ]

Solid
[pka]

3.45±0.12(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/s3
[InChIKey]

UJOYFRCOTPUKAK-SBYBRXNCNA-N
[SMILES]

[C@H](C1C=CC=CC=1)(N)CC(=O)O |&1:0,r|
[CAS DataBase Reference]

40856-44-8(CAS DataBase Reference)
Safety DataBack Directory
[HS Code ]

2922498590
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

S)-β-Phenylalanine is a key building block used as an intermediate in the synthesis of pharmaceuticals.
[Definition]

ChEBI: (S)-3-amino-3-phenylpropanoic acid is an optically active form of 3-amino-3-phenylpropanoic acid having S-configuration. It is an enantiomer of a (R)-3-amino-3-phenylpropanoic acid. It is a tautomer of a (S)-3-ammonio-3-phenylpropanoate.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-Amino-3-phenylpropanoic acid(40856-44-8)1HNMR
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