(2S)-2-Amino-3-phenylpropanoic acid supplier

Name
(2S)-2-amino-3-phenyl-propanoic acid
EINECS
CAS No. 67675-33-6
Article Data871
CAS DataBase
Density 1.202 g/cm³
Solubility
Melting Point 283oC decomposes
Formula C₉H₁₁NO₂
Boiling Point 307.5 °C at 760 mmHg
Molecular Weight 165.19
Flash Point 139.771 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Phenylalanine
PSA 63.32000
LogP 1.34130

(2S)-2-Amino-3-phenylpropanoic acid Specification

The (2S)-2-Amino-3-phenylpropanoic acid, with cas registry number 67675-33-6, has the systematic name of L-phenylalanine. And its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 45.493 cm³; (13)Molar Volume: 137.437 cm³; (14)Polarizability: 18.035×10^-24cm³; (15)Surface Tension: 53.597 dyne/cm; (16)Enthalpy of Vaporization: 57.873 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
(3)InChIKey: COLNVLDHVKWLRT-QMMMGPOBBC
(4)Std. InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
(5)Std. InChIKey: COLNVLDHVKWLRT-QMMMGPOBSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 1322mg/kg (1322mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.
rat	LD50	intraperitoneal	5287mg/kg (5287mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955.

Product Name

(2S)-2-amino-3-phenyl-propanoic acid

(2S)-2-Amino-3-phenylpropanoic acid Specification

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