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359782-00-6

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Basic Information
CAS No.: 359782-00-6
Name: (3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one
Article Data: 8
Molecular Structure:
Molecular Structure of 359782-00-6 ((3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one)
Formula: C10H20 N2 O
Molecular Weight: 184.282
Synonyms: 2H-Azepin-2-one,hexahydro-3-[(2-methylpropyl)amino]-,(3S);AZE012;(3S)-3-isobutylamino-azepan-2-one;
Density: 0.97
Melting Point: 52-54 ºC
Boiling Point: 341.2±35.0 °C(Predicted)
PSA: 41.13000
LogP: 1.62040
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Chemistry

Molecular Structure of (3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one (CAS NO.359782-00-6):

Systematic Name: 2H-Azepin-2-one, hexahydro-3-[(2-methylpropyl)amino]-, (3S)- 
Molecular Formula: C10H20N2O
Molecular Weight: 184.28
CAS Registry Number: 359782-00-6
Melting Point: 52-54 °C
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 3
Index of Refraction: 1.479
Molar Refractivity: 53.67 cm3
Molar Volume: 189.1 cm3
Surface Tension: 34.5 dyne/cm
Density: 0.97 g/cm3
Flash Point: 139.2 °C
Enthalpy of Vaporization: 58.48 kJ/mol
Boiling Point: 341.2 °C at 760 mmHg
Vapour Pressure: 8.2E-05 mmHg at 25 °C
SMILES: CC(C)CN[C@H]1CCCCNC1=O
InChI: InChI=1/C10H20N2O/c1-8(2)7-12-9-5-3-4-6-11-10(9)13/h8-9,12H,3-7H2,1-2H3,(H,11,13)/t9-/m0/s1
InChIKey: SCWIUHICGSPBKM-VIFPVBQEBK

Specification

 (3S)-Hexahydro-3-[(2-methylpropyl)amino]-2H-azepin-2-one (CAS NO.359782-00-6), its Synonyms are 2H-Azepin-2-one,hexahydro-3-[(2-methylpropyl)amino]-, (3S)- ; 2H-azepin-2-one, hexahydro-3-[(2-methylpropyl)amino]-, (3S)- ; (3S)-3-(Isobutylamino)azepan-2-one .