Hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-1H-1,4-diazepine hydrochloride supplier

Name
ML-7 HYDROCHLORIDE
EINECS
CAS No. 110448-33-4
Density
Solubility
Melting Point 246-249 °C
Formula C₁₅H₁₇IN₂O₂S^.HCl
Boiling Point 542.7 °C at 760 mmHg
Molecular Weight 452.74
Flash Point 282 °C
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[(5-Iodo-1-naphthyl)sulfonyl]-1,4-diazepane hydrochloride (1:1);ML 7 hydrochloride;
PSA 57.79000
LogP 4.57790

Hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-1H-1,4-diazepine hydrochloride Specification

The Hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-1H-1,4-diazepine hydrochloride, with the CAS registry number 110448-33-4, is also known as ML 7 hydrochloride. It belongs to the product categories of All Inhibitors; Inhibitors; Protein Kinase Inhibitors and Activators. This chemical's molecular formula is C₁₅H₁₇IN₂O₂S^.HCl and molecular weight is 452.74. What's more, its systematic name is 1-[(5-Iodo-1-naphthyl)sulfonyl]-1,4-diazepane hydrochloride (1:1). This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of Hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-1H-1,4-diazepine hydrochloride are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.09; (7)ACD/KOC (pH 5.5): 2.12; (8)ACD/KOC (pH 7.4): 13.33; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49 Å²; (13)Flash Point: 282 °C; (14)Enthalpy of Vaporization: 82.09 kJ/mol; (15)Boiling Point: 542.7 °C at 760 mmHg; (16)Vapour Pressure: 7.71E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2c1cccc(I)c1ccc2)N3CCCNCC3.Cl
(2)Std. InChI: InChI=1S/C15H17IN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
(3)Std. InChIKey: KDDALCDYHZIZMH-UHFFFAOYSA-N

Product Name

ML-7 HYDROCHLORIDE

Hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-1H-1,4-diazepine hydrochloride Specification

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