CAS No.128223-55-2,(2S,3R)-3-AMINO-2-HYDROXY-4-PHENYLBUTYRIC ACID HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128223-55-2
Name:	(2S,3R)-3-AMINO-2-HYDROXY-4-PHENYLBUTYRIC ACID HYDROCHLORIDE
Article Data:	7

Formula:	C₁₀H₁₄ClNO₃
Molecular Weight:	231.68
Synonyms:	Benzenebutanoic acid, β-amino-α-hydroxy-, (αS,βR)-, hydrochloride (1:1) (9CI);Benzenebutanoic acid, β-amino-α-hydroxy-, hydrochloride,[S-(R,S)]-;(1S,2R)-1-carboxy-1-hydroxy-3-phenylpropan-2-aminium chloride;(αS,βR)-β-Amino-α-hydroxybenzenebutanoic acid hydrochloride;
Boiling Point:	428.5 °C at 760 mmHg
Flash Point:	213 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26/36
PSA:	83.55000
LogP:	1.50420

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Specification

The Benzenebutanoic acid, β-amino-α-hydroxy-, (αS,βR)-, hydrochloride (1:1), with the CAS registry number 128223-55-2, is also known as (αS,βR)-β-Amino-α-hydroxybenzenebutanoic acid hydrochloride. It belongs to the product categories of A - H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C₁₀H₁₄ClNO₃ and molecular weight is 231.68. What's more, its systematic name is (1S,2R)-1-carboxy-1-hydroxy-3-phenylpropan-2-aminium chloride.

Physical properties of Benzenebutanoic acid, β-amino-α-hydroxy-, (αS,βR)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Flash Point: 213 °C; (14)Enthalpy of Vaporization: 72.07 kJ/mol; (15)Boiling Point: 428.5 °C at 760 mmHg; (16)Vapour Pressure: 4.17E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(O)[C@@H](O)[C@@H](Cc1ccccc1)[NH3+]
(2)InChI: InChI=1S/C10H13NO3.ClH/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7;/h1-5,8-9,12H,6,11H2,(H,13,14);1H/t8-,9+;/m1./s1
(3)InChIKey: OPVMPYQFOLATCK-RJUBDTSPSA-N