N-Benzyl-3-cyanoazetidine supplier

Name
N-Benzyl-3-cyanoazetidine
EINECS
CAS No. 94985-26-9
Article Data1
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₂
Boiling Point 296.1 °C at 760 mmHg
Molecular Weight 172.23
Flash Point 125.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Benzyl-3-cyanoazetidine;1-benzylazetidine-3-carbonitrile;1-(Phenylmethyl)-3-azetidinecarbonitrile
PSA 27.03000
LogP 1.57988

N-Benzyl-3-cyanoazetidine Specification

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

Product Name

N-Benzyl-3-cyanoazetidine

N-Benzyl-3-cyanoazetidine Specification

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