Histidine,N-[(phenylmethoxy)carbonyl]- supplier

Name
N-CBZ-DL-HISTIDINE
EINECS
CAS No. 19728-57-5
Article Data3
CAS DataBase
Density 1.368 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₅N₃O₄
Boiling Point 616.7 °C at 760 mmHg
Molecular Weight 289.291
Flash Point 326.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Histidine,N-[(phenylmethoxy)carbonyl]-;Histidine, N-carboxy-, N-benzyl ester, DL- (8CI);NSC 169138;Na-Benzyloxycarbonyl-DL-histidine;Carbobenzoxy-dl-histidine;
PSA 104.31000
LogP 1.72270

Histidine,N-[(phenylmethoxy)carbonyl]- Specification

The Histidine,N-[(phenylmethoxy)carbonyl]-, with the CAS registry number 19728-57-5, is also known as Carbobenzoxy-dl-histidine. This chemical's molecular formula is C₁₄H₁₅N₃O₄and molecular weight is 289.29. What's more, its ystematic name is N-[(Benzyloxy)carbonyl]histidine.

Physical properties about Histidine,N-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -1.52; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 73.66 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 73.6 cm³; (15)Molar Volume: 211.3 cm³; (16)Polarizability: 29.17×10^-24cm³; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 326.8 °C; (20)Enthalpy of Vaporization: 96.16 kJ/mol; (21)Boiling Point: 616.7 °C at 760 mmHg; (22)Vapour Pressure: 4.56E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)OCc1ccccc1)Cc2cncn2
(2)InChI: InChI=1/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)
(3)InChIKey: WCOJOHPAKJFUDF-UHFFFAOYAE

Product Name

N-CBZ-DL-HISTIDINE

Histidine,N-[(phenylmethoxy)carbonyl]- Specification

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