3-Bromo-1-azetidinecarboxylic acid benzyl ester supplier

Name
1-Azetidinecarboxylic acid, 3-bromo-, phenylmethyl ester
EINECS
CAS No. 939759-25-8
Density 1.546 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂BrNO₂
Boiling Point 355.2 °C at 760 mmHg
Molecular Weight 270.12
Flash Point 168.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Azetidinecarboxylic acid, 3-bromo-, phenylmethyl ester;3-Bromo-1-azetidinecarboxylic acid benzyl ester;Benzyl 3-broMoazetidine-1-carboxylate;1-Cbz-3-broMoazetidine
PSA 29.54000
LogP 2.34020

3-Bromo-1-azetidinecarboxylic acid benzyl ester Specification

The 3-Bromo-1-azetidinecarboxylic acid benzyl ester with the cas number 939759-25-8 is also called 1-Azetidinecarboxylicacid, 3-bromo-, phenylmethyl ester. The systematic name is benzyl 3-bromoazetidine-1-carboxylate. Its molecular formula is C₁₁H₁₂BrNO₂.

The properties of the chemical are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.23; (6)ACD/BCF (pH 7.4): 20.23; (7)ACD/KOC (pH 5.5): 299.52; (8)ACD/KOC (pH 7.4): 299.52; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 60.62 cm³; (15)Molar Volume: 174.7 cm³; (16)Polarizability: 24.03×10^-24cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Enthalpy of Vaporization: 60.03 kJ/mol; (19)Vapour Pressure: 3.19×10^-5mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC2CN(C(=O)OCc1ccccc1)C2
(2)InChI: InChI=1/C11H12BrNO2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
(3)InChIKey: SUBBMOROFINEHA-UHFFFAOYAV

Product Name

1-Azetidinecarboxylic acid, 3-bromo-, phenylmethyl ester

3-Bromo-1-azetidinecarboxylic acid benzyl ester Specification

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