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13080-10-9

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Basic Information
CAS No.: 13080-10-9
Name: 4-Amino-2-phenylbutanoic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 13080-10-9 (4-Amino-2-phenylbutanoic acid)
Formula: C10H13 N O2
Molecular Weight: 179.219
Synonyms: Butyricacid, 4-amino-2-phenyl- (6CI,7CI,8CI); 4-Amino-2-phenylbutyric acid; a-Phenyl-g-aminobutyric acid
Density: 1.161
Melting Point: 200-202 °C
Boiling Point: 328.9°Cat760mmHg
Flash Point: 152.7°C
PSA: 63.32000
LogP: 1.90390
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Chemistry

Molecular structure of 4-Amino-2-phenylbutanoic acid (CAS NO.13080-10-9) is:

Product Name: 4-Amino-2-phenylbutanoic acid
CAS Registry Number: 13080-10-9
IUPAC Name: 4-Amino-2-phenylbutanoic acid
Molecular Weight: 179.21572 [g/mol]  
Molecular Formula: C10H13NO2  
XLogP3-AA: -1.4  
H-Bond Donor: 2  
H-Bond Acceptor: 3
Index of Refraction: 1.563 
Molar Refractivity: 50.17 cm3 
Molar Volume: 154.3 cm3
Surface Tension: 51.2 dyne/cm 
Density: 1.161 g/cm3 
Flash Point: 152.7 °C 
Enthalpy of Vaporization: 60.31 kJ/mol 
Boiling Point: 328.9 °C at 760 mmHg 
Vapour Pressure: 7.39E-05 mmHg at 25°C 
Related Registry Number: 66859-48-1 (hydrochloride)
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: C1=CC=C(C=C1)C(CCN)C(=O)O
InChI: InChI=1S/C10H13NO2/c11-7-6-9(10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13) 
InChIKey: YBRIOADNXHWOSW-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 Archivum Immunologiae et Therapiae Experimentalis. Vol. 23, Pg. 733, 1975.
 

Specification

 4-Amino-2-phenylbutanoic acid , its cas register number is 13080-10-9. It also can be called Benzeneacetic acid, a-(2-aminoethyl)- .