Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzyl 3-oxocyclobutylcarbamate |
EINECS | 1533716-785-6 |
CAS No. | 130369-36-7 | Density | 1.22 g/cm3 |
PSA | 55.40000 | LogP | 2.03520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H13NO3 | Boiling Point | 403.3 °C at 760 mmHg |
Molecular Weight | 219.24 | Flash Point | 197.7 °C |
Transport Information | N/A | Appearance | White crystalline powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aztreonam |
Article Data | 8 |
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 C12H13NO3 and 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