2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine supplier

Name
2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
EINECS
CAS No. 717917-14-1
Density 1.328 g/cm³
Solubility
Melting Point 111-112 °C
Formula C₁₉H₁₉N₃O₂S
Boiling Point 639.471 °C at 760 mmHg
Molecular Weight 353.445
Flash Point 340.54 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine;
PSA 74.44000
LogP 4.59070

2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine Specification

This chemical is called 2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine hydrochloride, and its CAS registry number is 717917-14-1. With the molecular formula of C₁₉H₁₉N₃O₂S, its molecular weight is 353.44.

Other characteristics of the 2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine hydrochloride can be summarised as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 74.44 Å²; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 97.051 cm³; (9)Molar Volume: 266.23 cm³; (10)Polarizability: 38.474×10^-24cm³; (11)Surface Tension: 58.988 dyne/cm; (12)Density: 1.328 g/cm³; (13)Flash Point: 340.54 °C; (14)Enthalpy of Vaporization: 94.427 kJ/mol; (15)Boiling Point: 639.471 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1ccc(cc1)C)N3c4c(c2nc(nc2CC3)C)cccc4
2.InChI: InChI=1/C19H19N3O2S/c1-13-7-9-15(10-8-13)25(23,24)22-12-11-17-19(21-14(2)20-17)16-5-3-4-6-18(16)22/h3-10H,11-12H2,1-2H3,(H,20,21)
3.InChIKey: FJMULJYPXDDJSY-UHFFFAOYAU

Product Name

2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine Specification

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