N-Benzoylalanine supplier | CasNO.2198-64-3

Name
BZ-ALA-OH
EINECS 218-601-3
CAS No. 2198-64-3
Article Data106
CAS DataBase
Density 1.224 g/cm³
Solubility
Melting Point 163-164oC
Formula C₁₀H₁₁NO₃
Boiling Point 452.329 °C at 760 mmHg
Molecular Weight 193.202
Flash Point 227.361 °C
Transport Information
Appearance Crystalline
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-benzoyl-, L- (8CI);(S)-N-Benzoylalanine;(S)-a-Methylhippuric acid;L-N-Benzoylalanine;Methylhippuric acid;N-Benzoyl-L-alanine;N-Benzoyl-a-alanine;NSC 43124;a-Methylhippuric acid;
PSA 66.40000
LogP 1.28040

N-Benzoylalanine Specification

The L-Alanine, N-benzoyl-, with CAS registry number 2198-64-3, belongs to the following product categories: (1)Amino Acid Derivatives; (2)Amino Acids; (3)A - H; (4)Modified Amino Acids. It has the systematic name of N-benzoyl-L-alanine. This chemical is a kind of crystalline. It should be stored at the temperature of −20°C. And the chemical formula of this chemical is C₁₀H₁₁NO₃.

Physical properties of L-Alanine, N-benzoyl-: (1)ACD/LogP: 0.66; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 50.66 cm³; (13)Molar Volume: 157.7 cm³; (14)Polarizability: 20.08×10^-24cm³; (15)Surface Tension: 49.7 dyne/cm; (16)Density: 1.224 g/cm³; (17)Flash Point: 227.4 °C; (18)Enthalpy of Vaporization: 74.98 kJ/mol; (19)Boiling Point: 452.3 °C at 760 mmHg; (20)Vapour Pressure: 5.7E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)C)c1ccccc1
(2)InChI: InChI=1/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
(3)InChIKey: UAQVHNZEONHPQG-ZETCQYMHBE
(4)Std. InChI: InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
(5)Std. InChIKey: UAQVHNZEONHPQG-ZETCQYMHSA-N

Product Name

BZ-ALA-OH

N-Benzoylalanine Specification

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