1-Cbz-3-cyanoazetidine supplier

Name
1-Cbz-3-cyanoazetidine
EINECS
CAS No. 288851-42-3
Density 1.241 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂O₂
Boiling Point 391.049 °C at 760 mmHg
Molecular Weight 216.239
Flash Point 190.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyano-1-Cbz-azetidine;Benzyl 3-cyanoazetidine-1-carboxylate;
PSA 53.33000
LogP 1.71648

1-Cbz-3-cyanoazetidine Specification

The 1-Cbz-3-cyanoazetidine, with the CAS registry number 288851-42-3, is also known as 3-Cyano-1-Cbz-azetidine. This chemical's molecular formula is C₁₂H₁₂N₂O₂ and molecular weight is 216.239. What's more, its systematic name is called Benzyl 3-cyanoazetidine-1-carboxylate.

Physical properties about 1-Cbz-3-cyanoazetidine are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.271; (4)ACD/LogD (pH 7.4): 1.271; (5)ACD/BCF (pH 5.5): 5.446; (6)ACD/BCF (pH 7.4): 5.446; (7)ACD/KOC (pH 5.5): 117.087; (8)ACD/KOC (pH 7.4): 117.087; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.33 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 58.151 cm³; (15)Molar Volume: 174.234 cm³; (16)Surface Tension: 54.641 dyne/cm; (17)Density: 1.241 g/cm³; (18)Flash Point: 190.3 °C; (19)Enthalpy of Vaporization: 64.061 kJ/mol; (20)Boiling Point: 391.049 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)COC(=O)N2CC(C2)C#N
(2) InChI: InChI=1/C12H12N2O2/c13-6-11-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,7-9H2
(3) InChIKey: OWGOVPJMOBRPON-UHFFFAOYAU

Product Name

1-Cbz-3-cyanoazetidine

1-Cbz-3-cyanoazetidine Specification

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