2,3,4,5-Tetrahydro-3-(phenylmethyl)-1,5-methano-1H-3-benzazepine supplier

Name
1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(phenylmethyl)-
EINECS
CAS No. 230615-48-2
Article Data5
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₉N
Boiling Point 374.495 °C at 760 mmHg
Molecular Weight 249.356
Flash Point 162.136 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3,4,5-Tetrahydro-3-(phenylmethyl)-1,5-methano-1H-3-benzazepine;
PSA 3.24000
LogP 3.71120

2,3,4,5-Tetrahydro-3-(phenylmethyl)-1,5-methano-1H-3-benzazepine Specification

The 2,3,4,5-Tetrahydro-3-(phenylmethyl)-1,5-methano-1H-3-benzazepine, with the cas number 230615-48-2, is also called 1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-3-(phenylmethyl)-. The systematic name is 3-benzyl-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine. Its molecular formula is C₁₈H₁₉N.

The properties of the chemical are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 147; (7)ACD/KOC (pH 5.5): 16; (8)ACD/KOC (pH 7.4): 822; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 78.436 cm³; (15)Molar Volume: 222.123 cm³; (16)Polarizability: 31.094×10^-24cm³; (17)Surface Tension: 46.28 dyne/cm; (18)Enthalpy of Vaporization: 62.189 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1C2CN(CC3C2)Cc4ccccc4
(2)InChI: InChI=1/C18H19N/c1-2-6-14(7-3-1)11-19-12-15-10-16(13-19)18-9-5-4-8-17(15)18/h1-9,15-16H,10-13H2
(3)InChIKey: TWQZMFJJYHNANK-UHFFFAOYAJ

Product Name

1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(phenylmethyl)-

2,3,4,5-Tetrahydro-3-(phenylmethyl)-1,5-methano-1H-3-benzazepine Specification

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