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130973-78-3

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Basic Information
CAS No.: 130973-78-3
Name: AZETIDINE-2-CARBOXAMIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 130973-78-3 (AZETIDINE-2-CARBOXAMIDE)
Formula: C4H8N2O
Molecular Weight: 100.12
Synonyms: Azetidin-2-carboxamid;
Density: 1.172 g/cm3
Boiling Point: 300.919 °C at 760 mmHg
Flash Point: 135.791 °C
PSA: 55.12000
LogP: -0.13730
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Specification

The 2-Azetidinecarboxamide, with CAS registry number 130973-78-3, has the systematic name of azetidine-2-carboxamide. Besides this, it is also called Azetidine-2-carboxylic acid amide. And the chemical formula of this chemical is C4H8N2O.

Physical properties of 2-Azetidinecarboxamide: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.12 Å2; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 25.291 cm3; (13)Molar Volume: 85.432 cm3; (14)Polarizability: 10.026×10-24cm3; (15)Surface Tension: 45.33 dyne/cm; (16)Density: 1.172 g/cm3; (17)Flash Point: 135.791 °C; (18)Enthalpy of Vaporization: 54.102 kJ/mol; (19)Boiling Point: 300.919 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CNC1C(=O)N
(2)InChI: InChI=1/C4H8N2O/c5-4(7)3-1-2-6-3/h3,6H,1-2H2,(H2,5,7)
(3)InChIKey: KKCWBKUOPJMUQV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C4H8N2O/c5-4(7)3-1-2-6-3/h3,6H,1-2H2,(H2,5,7)
(5)Std. InChIKey: KKCWBKUOPJMUQV-UHFFFAOYSA-N