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67651-47-2

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Basic Information
CAS No.: 67651-47-2
Name: 1H-Azepine-1-carboxamide,hexahydro-(9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 67651-47-2 (1H-Azepine-1-carboxamide,hexahydro-(9CI))
Formula: C7H14N2O
Molecular Weight: 142.201
Synonyms: 1-Azepinecarboxamide,hexahydro- (5CI);Azepane-1-carboxamide;Azepane-1-carboxylic acid amide;
Density: 1.063 g/cm3
Boiling Point: 246.7 °C at 760 mmHg
Flash Point: 103 °C
PSA: 47.32000
LogP: 1.39280
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Specification

The 1H-Azepine-1-acetonitrile,hexahydro-, with the CAS registry number 67651-47-2, is also known as Azepane-1-carboxylic acid amide. It belongs to the product category of Amide. This chemical's molecular formula is C7H14N2O and molecular weight is 142.20. What's more, its systematic name is azepane-1-carboxamide.

Physical properties of 1H-Azepine-1-acetonitrile,hexahydro- are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.42; (8)ACD/KOC (pH 7.4): 25.42; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 39.34 cm3; (15)Molar Volume: 133.6 cm3; (16)Polarizability: 15.59×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.063 g/cm3; (19)Flash Point: 103 °C; (20)Enthalpy of Vaporization: 48.38 kJ/mol; (21)Boiling Point: 246.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0267 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCCN(CC1)C(=O)N
(2)InChI: InChI=1S/C7H14N2O/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2,(H2,8,10)
(3)InChIKey: YQRJTOFQAJAHEN-UHFFFAOYSA-N