-
Name
N-CBZ-3-OXOAZETIDINE
- EINECS
- CAS No. 105258-93-3
- Article Data11
- CAS DataBase
- Density 1.308 g/cm3
- Solubility
- Melting Point
- Formula C11H11NO3
- Boiling Point 356.527 °C at 760 mmHg
- Molecular Weight 205.213
- Flash Point 169.422 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N-CBZ-3-OXOAZETIDINE;1-Cbz-3-azetidinone;3-Oxo-azetidine-1-carboxylic acid benzyl ester;1-Azetidinecarboxylic acid, 3-oxo-, phenylMethyl ester;Azetidin-3-one, N-CBZ protected;Benzyl 3-oxoazetidine-1-carboxylate, 1-[(Benzyloxy)carbonyl]-3-oxoazetidine;1-(Benzyloxycarbonyl)azetidin-3-one
- PSA 46.61000
- LogP 1.14580
Benzyl 3-oxoazetidine-1-carboxylate Specification
This chemical has the systematic name Benzyl 3-oxoazetidine-1-carboxylate. With the CAS registry number 105258-93-3, it is also known as 1-Cbz-3-azetidinone. Its molecular formula is C11H11NO3 and its molecular weight is 205.2099.
Other characteristics of the Benzyl 3-oxoazetidine-1-carboxylate can be summarised as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34; (8)ACD/KOC (pH 7.4): 34; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 52.97 cm3; (15)Molar Volume: 156.852 cm3; (16)Polarizability: 20.999×10-24cm3; (17)Surface Tension: 57.26 dyne/cm; (18)Density: 1.308 g/cm3; (19)Flash Point: 169.422 °C; (20)Enthalpy of Vaporization: 60.18 kJ/mol; (21)Boiling Point: 356.527 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2CN(C(=O)OCc1ccccc1)C2
2.InChI: InChI=1/C11H11NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
3.InChIKey: VLMMTGKGDOAYER-UHFFFAOYAS
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