Basic Information | Post buying leads | Suppliers |
Name |
1H-1,4-Diazepine,1-[(5-chloro-1-naphthalenyl)sulfonyl]hexahydro-, hydrochloride (1:1) |
EINECS | 200-258-5 |
CAS No. | 105637-50-1 | Density | N/A |
PSA | 57.79000 | LogP | 4.62670 |
Solubility | ethanol: 10 mg/mL | Melting Point |
196-200 °C |
Formula | C15H18Cl2N2O2S | Boiling Point | 508.8 °Cat760mmHg |
Molecular Weight | 361.29 | Flash Point | 261.5 °C |
Transport Information | N/A | Appearance | crystalline solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-1,4-Diazepine,1-[(5-chloro-1-naphthalenyl)sulfonyl]hexahydro-, monohydrochloride (9CI);1-(5-Chloronaphthyl-1-sulfonyl)homopiperazine hydrochloride;ML 9; |
This chemical is called 1H-1,4-Diazepine,1-[(5-chloro-1-naphthalenyl)sulfonyl]hexahydro-, hydrochloride (1:1), and its IUPAC name is 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane hydrochloride. With the molecular formula of C15H18Cl2N2O2S, its molecular weight is 361.29. The CAS registry number of this chemical is 105637-50-1. Additionally, its product categories are Protein Kinase Inhibitors and Activators. It should be stored at 2-8 °C.
Other characteristics of the can be summarised as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.22; (8)ACD/KOC (pH 7.4): 7.72; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49 Å2; (13)Flash Point: 261.5 °C; (14)Enthalpy of Vaporization: 77.93 kJ/mol; (15)Boiling Point: 508.8 °C at 760 mmHg; (16)Vapour Pressure: 1.79E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c2c1cccc(Cl)c1ccc2)N3CCCNCC3.Cl
2.InChI: InChI=1/C15H17ClN2O2S.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.InChIKey: ZNRYCIVTNLZOGI-UHFFFAOYAN