Benzyl 3-oxocyclobutylcarbamate supplier

Name
Benzyl 3-oxocyclobutylcarbamate
EINECS 1533716-785-6
CAS No. 130369-36-7
Article Data8
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃NO₃
Boiling Point 403.3 °C at 760 mmHg
Molecular Weight 219.24
Flash Point 197.7 °C
Transport Information
Appearance White crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aztreonam
PSA 55.40000
LogP 2.03520

Benzyl 3-oxocyclobutylcarbamate Specification

This chemical has the systematic name Benzyl 3-oxocyclobutylcarbamate. With the CAS registry number 130369-36-7, it's also known as Carbamic acid, N-(3-oxocyclobutyl)-, phenylmethyl ester. Its molecular formula is C₁₂H₁₃NO₃and its molecular weight is 219.239.

Other characteristics of the Benzyl 3-oxocyclobutylcarbamate can be summarised as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.3; (6)ACD/BCF (pH 7.4): 3.3; (7)ACD/KOC (pH 5.5): 81.81; (8)ACD/KOC (pH 7.4): 81.81; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 58.09 cm³; (15)Molar Volume: 178.6 cm³; (16)Polarizability: 23.03×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 197.7 °C; (20)Enthalpy of Vaporization: 65.46 kJ/mol; (21)Boiling Point: 403.3 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2CC(NC(=O)OCc1ccccc1)C2
2.InChI: InChI=1/C12H13NO3/c14-11-6-10(7-11)13-12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)
3.InChIKey: PSAMWNBBHLUISE-UHFFFAOYAJ

Product Name

Benzyl 3-oxocyclobutylcarbamate

Benzyl 3-oxocyclobutylcarbamate Specification

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