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142253-58-5

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Basic Information
CAS No.: 142253-58-5
Name: 1-Boc-3-(cyanomethyl)azetidine
Article Data: 6
Molecular Structure:
Molecular Structure of 142253-58-5 (1-Boc-3-(cyanomethyl)azetidine)
Formula: C10H16N2O2
Molecular Weight: 196.25
Synonyms: 1-Boc-3-(cyanomethyl)azetidine;
Density: 1.089 g/cm3
Boiling Point: 310.1 °C at 760 mmHg
Flash Point: 141.3 °C
PSA: 53.33000
LogP: 1.70488
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Specification

The 1-Azetidinecarboxylicacid, 3-(cyanomethyl)-, 1, 1-dimethylethyl ester, with the CAS registry number 142253-58-5, is also known as 1-Boc-3-(cyanomethyl)azetidine. This chemical's molecular formula is C10H16N2O2 and molecular weight is 196.25. What's more, its systematic name is tert-Butyl 3-(cyanomethyl)azetidine-1-carboxylate.

Physical properties about 1-Azetidinecarboxylicacid, 3-(cyanomethyl)-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.28; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 53.33 Å2; (9)Index of Refraction: 1.482; (10)Molar Refractivity: 51.45 cm3; (11)Molar Volume: 180.1 cm3; (12)Polarizability: 20.39×10-24 cm3; (13)Surface Tension: 41.1 dyne/cm; (14)Density: 1.089 g/cm3; (15)Flash Point: 141.3 °C; (16)Enthalpy of Vaporization: 55.09 kJ/mol; (17)Boiling Point: 310.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000613 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CC(C1)CC#N
(2) InChI: InChI=1/C10H16N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4,6-7H2,1-3H3
(3) InChIKey: QRZNHJHKTCPFAO-UHFFFAOYAM