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CAS No.: | 94985-26-9 |
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Name: | N-Benzyl-3-cyanoazetidine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H12N2 |
Molecular Weight: | 172.23 |
Synonyms: | N-Benzyl-3-cyanoazetidine;1-benzylazetidine-3-carbonitrile;1-(Phenylmethyl)-3-azetidinecarbonitrile |
Density: | 1.11 g/cm3 |
Boiling Point: | 296.1 °C at 760 mmHg |
Flash Point: | 125.9 °C |
PSA: | 27.03000 |
LogP: | 1.57988 |
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The N-Benzyl-3-cyanoazetidine, with the CAS registry number 94985-26-9, is also known as 1-Benzyl-3-cyano-azetidine. This chemical's molecular formula is C11H12N2 and molecular weight is 172.2264. Its systematic name is called 1-benzylazetidine-3-carbonitrile.
Physical properties of N-Benzyl-3-cyanoazetidine: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 7.4): 0.83; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2.4; (5)ACD/KOC (pH 5.5): 4.41; (6)ACD/KOC (pH 7.4): 61.89; (7)#H bond acceptors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 51.66 cm3; (11)Molar Volume: 154.5 cm3; (12)Surface Tension: 48.6 dyne/cm; (13)Density: 1.11 g/cm3; (14)Flash Point: 125.9 °C; (15)Enthalpy of Vaporization: 53.59 kJ/mol; (16)Boiling Point: 296.1 °C at 760 mmHg; (17)Vapour Pressure: 0.00146 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC2CN(Cc1ccccc1)C2
(2)InChI: InChI=1/C11H12N2/c12-6-11-8-13(9-11)7-10-4-2-1-3-5-10/h1-5,11H,7-9H2
(3)InChIKey: JWARBUNVUNGRQE-UHFFFAOYAY