(3S)-3-amino-3-phenylpropanoic acid

S-PHA · H-b-Phe-OH · H-BETA-PHE-OH · H-(S)-β-Phe-OH · H-(S)-beta-Phe-OH · (S)-B-PHENYLALANINE · RARECHEM LK HC T302 · (S)-β-Phenylalanine

Identifikatoren & physikalische Daten

CAS No.	40856-44-8
Summenformel	C9H11NO2
Durchschnittliche Molmasse	165,19 g/mol
SMILES	N[C@@H](CC(=O)O)c1ccccc1
InChIKey	UJOYFRCOTPUKAK-QMMMGPOBSA-N
PubChem CID	686704
ChEBI	CHEBI:68525
EC No.	609-874-3

XLogP	-1,4
Polarare Oberfläche (TPSA)	63,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	153
Schmelzpunkt	251-253 °C(Solv: water (7732-18-5)acetone (67-64-1))
Siedepunkt	307.5±30.0 °C(Predicted)
Dichte	1.198±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Aqueous Acid (Sparingly)
Aggregatzustand	Solid
pKa (Säurekonstante)	3.45±0.12(Predicted)
Farbe	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 Datenbank	40856-44-8(CAS DataBase Reference)

GHS-Einstufung	WarningH315 (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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2922498590

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