Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzenebutanoic acid, b-amino-a-hydroxy-, (R*,S*)- (9CI)

Related Products

Hot Products

Name

Benzenebutanoic acid, b-amino-a-hydroxy-, (R*,S*)- (9CI)

EINECS N/A
CAS No. 76647-67-1 Density 1.285 g/cm3
PSA 83.55000 LogP 0.70220
Solubility N/A Melting Point 247 - 249 °C
Formula C10H13NO3 Boiling Point 428.5 °C at 760 mmHg
Molecular Weight 195.218 Flash Point 213 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 76647-67-1 ((2S,3R)-3-AMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID) Hazard Symbols N/A
Synonyms

(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyric acid;Benzenebutanoic acid, β-amino-α-hydroxy-, (R*,S*)-;β-Amino-α-hydroxybenzenebutanoic acid;

Article Data 3

Benzenebutanoic acid, b-amino-a-hydroxy-, (R*,S*)- (9CI) Specification

The Benzenebutanoic acid, b-amino-a-hydroxy-, (R*,S*)- (9CI), with the CAS registry number 76647-67-1, has the systematic name ans IUPAC name of (2R,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H13NO3.

The characteristics of Benzenebutanoic acid, b-amino-a-hydroxy-, (R*,S*)- (9CI) are as followings: (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: 38.77 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 51.61 cm3; (15)Molar Volume: 151.8 cm3; (16)Polarizability: 20.46×10-24cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.285 g/cm3; (19)Flash Point: 213 °C; (20)Enthalpy of Vaporization: 72.07 kJ/mol; (21)Boiling Point: 428.5 °C at 760 mmHg; (22)Vapour Pressure: 4.17E-08 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@H](O)[C@@H](N)Cc1ccccc1
(2)InChI: InChI=1/C10H13NO3/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)/t8-,9+/m0/s1
(3)InChIKey: LDSJMFGYNFIFRK-DTWKUNHWBE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 1862, 1988.
mouse LD oral > 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 1862, 1988.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 76647-67-1