Cbz-1-amino-1-cyclopentanecarboxylic acid supplier

Name
CBZ-1-AMINO-1-CYCLOPENTANECARBOXYLIC ACID
EINECS
CAS No. 17191-44-5
Article Data11
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇NO₄
Boiling Point 468.239 °C at 760 mmHg
Molecular Weight 263.293
Flash Point 236.983 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopentanecarbamicacid, 1-carboxy-, N-benzyl ester (7CI,8CI);Cyclopentanecarbamic acid, 1-carboxy-,benzyl ester (6CI);1-[[(Benzyloxy)carbonyl]amino]cyclopentanecarboxylic acid;Carbobenzoxy-1-aminocyclopentane-1-carboxylic acid;N-Benzyloxycarbonylcycloleucine;
PSA 75.63000
LogP 2.70110

Cbz-1-amino-1-cyclopentanecarboxylic acid Specification

The Cbz-1-amino-1-cyclopentanecarboxylic acid with the CAS number 17191-44-5 is also called Cyclopentanecarboxylicacid, 1-[[(phenylmethoxy)carbonyl]amino]-. The IUPAC name is 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid. Its molecular formula is C₁₄H₁₇NO₄. This chemical belongs to the following product categories: (1)N-CBZ; (2)pharmacetical.

The properties of the chemical are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.42; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 68.92 cm³; (15)Molar Volume: 208.5 cm³; (16)Polarizability: 27.32×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Enthalpy of Vaporization: 76.95 kJ/mol; (19)Vapour Pressure: 1.43×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)NC2(C(=O)O)CCCC2
(2)InChI: InChI=1/C14H17NO4/c16-12(17)14(8-4-5-9-14)15-13(18)19-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,15,18)(H,16,17)
(3)InChIKey: IXXMJXGMYKDTRQ-UHFFFAOYAK

Product Name

CBZ-1-AMINO-1-CYCLOPENTANECARBOXYLIC ACID

Cbz-1-amino-1-cyclopentanecarboxylic acid Specification

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