CAS No.67287-53-0,6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67287-53-0
Name:	6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine
Article Data:	6

Formula:	C₁₉H₂₂ClNO₃
Molecular Weight:	347.842
Synonyms:	6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;6-Chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine;EINECS 266-633-1;6-Chloro-7,8-dimethoxy-1-(p-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine;
EINECS:	266-633-1
Density:	1.166 g/cm³
Melting Point:	140-145 °C
Boiling Point:	479.2 °C at 760 mmHg
Flash Point:	243.6 °C
PSA:	39.72000
LogP:	3.97220

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Specification

The 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine, with the CAS registry number 67287-53-0, is also known as 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-. Its EINECS number is 266-633-1. This chemical's molecular formula is C₁₉H₂₂ClNO₃ and molecular weight is 347.84. Its IUPAC name is called 9-chloro-7,8-dimethoxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine.

Physical properties of 6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.72; (7)ACD/KOC (pH 5.5): 1.6; (8)ACD/KOC (pH 7.4): 28.41; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 95.76 cm³; (14)Molar Volume: 298.1 cm³; (15)Surface Tension: 39 dyne/cm; (16)Density: 1.166 g/cm³; (17)Melting Point: 140-145 °C; (18)Flash Point: 243.6 °C; (19)Enthalpy of Vaporization: 74.34 kJ/mol; (20)Boiling Point: 479.2 °C at 760 mmHg; (21)Vapour Pressure: 2.42E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)Cl
(2)InChI: InChI=1S/C19H22ClNO3/c1-22-13-6-4-12(5-7-13)16-11-21-9-8-14-15(16)10-17(23-2)19(24-3)18(14)20/h4-7,10,16,21H,8-9,11H2,1-3H3
(3)InChIKey: MYTZRTXHMVXREA-UHFFFAOYSA-N