Phenylalanine, b-phenyl-, hydrochloride (1:1) supplier

Name
3,3-Diphenylalanine Hydrochloride
EINECS
CAS No. 119273-60-8
Article Data4
CAS DataBase
Density
Solubility
Melting Point 180℃
Formula C₁₅H₁₆ClNO₂
Boiling Point 417.3 °C at 760 mmHg
Molecular Weight 277.75
Flash Point 206.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Phenylalanine,b-phenyl-, hydrochloride;Phenylalanine, b-phenyl-,hydrochloride (9CI);2-Amino-3,3-diphenylpropanoic acid hydrochloride;DL-3,3-Diphenylalanine hydrochloride;b-phenylphenylalanine hydrochloride;
PSA 126.64000
LogP 3.46500

Phenylalanine, b-phenyl-, hydrochloride (1:1) Specification

The Phenylalanine, b-phenyl-, hydrochloride (1:1), with the CAS registry number 119273-60-8, is also known as 2-Amino-3,3-diphenylpropanoic acid hydrochloride. This chemical's molecular formula is C₁₅H₁₆ClNO₂ and molecular weight is 277.75. What's more, its systematic name is b-phenylphenylalanine hydrochloride.

Physical properties of Phenylalanine, b-phenyl-, hydrochloride (1:1) are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.72; (8)ACD/KOC (pH 7.4): 2.61; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.32 Å²; (13)Flash Point: 206.2 °C; (14)Enthalpy of Vaporization: 70.71 kJ/mol; (15)Boiling Point: 417.3 °C at 760 mmHg; (16)Vapour Pressure: 1.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NC(C(c1ccccc1)c2ccccc2)C(O)=O
(2)InChI: InChI=1/C15H15NO2.ClH/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13-14H,16H2,(H,17,18);1H
(3)InChIKey: SKIHATSEIBREBX-UHFFFAOYSA-N

Product Name

3,3-Diphenylalanine Hydrochloride

Phenylalanine, b-phenyl-, hydrochloride (1:1) Specification

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