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866462-51-3

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Basic Information
CAS No.: 866462-51-3
Name: 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
Article Data: 2
Molecular Structure:
Molecular Structure of 866462-51-3 (3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one)
Formula: C17H23 N O5
Molecular Weight: 321.373
Synonyms: 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
Density: 1.173
Boiling Point: 505.966°C at 760 mmHg
Flash Point: 259.799°C
PSA: 57.23000
LogP: 1.33190
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Chemistry

Molecular Structure of 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS NO.866462-51-3):

Systematic Name: 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
SMILES: O=C2N(CCc1cc(OC)c(OC)cc1C2)CCC3OCCO3
InChI: InChI=1/C17H23NO5/c1-20-14-9-12-3-5-18(6-4-17-22-7-8-23-17)16(19)11-13(12)10-15(14)21-2/h9-10,17H,3-8,11H2,1-2H3
InChIKey: WBLSXQWVJABURL-UHFFFAOYAH 
Empirical Formula: C17H23NO5
Molecular Weight: 321.3682
Nominal Mass: 321
Average Mass: 321.3682
Monoisotopic Mass: 321.157623 
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 5
Index of Refraction: 1.529
Molar Refractivity: 84.477 cm3
Molar Volume: 273.963 cm3
Surface Tension: 40.437 dyne/cm
Density: 1.173 g/cm3
Flash Point: 259.799 °C
Enthalpy of Vaporization: 77.575 kJ/mol
Boiling Point: 505.966 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C 
Mol File: 866462-51-3.mol

Specification

 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS NO.866462-51-3), its Synonym is 2H-3-Benzazepin-2-one, 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,3,4,5-tetrahydro-7,8-dimethoxy- .