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383129-21-3

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Basic Information
CAS No.: 383129-21-3
Name: 2-(3-CHLORO-PHENYL)-AZEPANE
Molecular Structure:
Molecular Structure of 383129-21-3 (2-(3-CHLORO-PHENYL)-AZEPANE)
Formula: C12H16 Cl N
Molecular Weight: 209.719
Synonyms: 2-(3-Chlorophenyl)hexahydro-1H-azepine
Density: 1.068
PSA: 12.03000
LogP: 3.87350
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Chemistry

Molecular Structure of 2-(3-Chlorophenyl)hexahydro-1H-azepine (CAS No.383129-21-3):

Molecular Formula: C12H16ClN 
Molecular Weight: 209.7151
CAS No: 383129-21-3
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 3.24 Å2
Index of Refraction: 1.526
Molar Refractivity: 60.35 cm3
Molar Volume: 196.3 cm3
Surface Tension: 36.4 dyne/cm
Density: 1.068 g/cm3
Flash Point: 138.7 °C
Enthalpy of Vaporization: 54.61 kJ/mol
Boiling Point: 305.7 °C at 760 mmHg
Vapour Pressure: 0.00081 mmHg at 25°C
InChI: InChI=1/C12H16ClN/c13-11-6-4-5-10(9-11)12-7-2-1-3-8-14-12/h4-6,9,12,14H,1-3,7-8H2
InChIKey: DKVBGAPRKMGQCO-UHFFFAOYAK
Std. InChI: InChI=1S/C12H16ClN/c13-11-6-4-5-10(9-11)12-7-2-1-3-8-14-12/h4-6,9,12,14H,1-3,7-8H2 Std. InChIKey: DKVBGAPRKMGQCO-UHFFFAOYSA-N

Specification

   2-(3-Chlorophenyl)hexahydro-1H-azepine (CAS No.383129-21-3), its synonyms are 1H-azepine, 2-(3-chlorophenyl)hexahydro- ; 2-(3-Chlorophenyl)azepane .