1H-3-Benzazepine,2,3,4,5-tetrahydro-1-phenyl- supplier

Name
1-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZAZEPINE
EINECS
CAS No. 20390-68-5
Article Data3
CAS DataBase
Density 1.042 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₇N
Boiling Point 365.4 °C at 760 mmHg
Molecular Weight 223.318
Flash Point 185.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenyl-2,3,4,5-tetrahydro-1H-benzoazepine;1-Phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;
PSA 12.03000
LogP 3.29300

1H-3-Benzazepine,2,3,4,5-tetrahydro-1-phenyl- Specification

The 1H-3-Benzazepine,2,3,4,5-tetrahydro-1-phenyl-, with the CAS registry number 20390-68-5, is also known as 1-Phenyl-2,3,4,5-tetrahydro-1H-benzoazepine. This chemical's molecular formula is C₁₆H₁₇N and molecular weight is 223.31. What's more, its systematic name is 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Physical properties of 1H-3-Benzazepine,2,3,4,5-tetrahydro-1-phenyl- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å²; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 70.83 cm³; (9)Molar Volume: 214.2 cm³; (10)Polarizability: 28.07×10^-24cm³; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.042 g/cm³; (13)Flash Point: 185.1 °C; (14)Enthalpy of Vaporization: 61.16 kJ/mol; (15)Boiling Point: 365.4 °C at 760 mmHg; (16)Vapour Pressure: 1.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1)CCNCC2c3ccccc3
(2)InChI: InChI=1S/C16H17N/c1-2-6-13(7-3-1)16-12-17-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
(3)InChIKey: MEXPXLPUVFBQGJ-UHFFFAOYSA-N

Product Name

1-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZAZEPINE

1H-3-Benzazepine,2,3,4,5-tetrahydro-1-phenyl- Specification

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