Methanesulfonamide, N-[5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]-,hydrobromide (1:1) supplier

Name
A 61603 HYDROBROMIDE
EINECS
CAS No. 107756-30-9
Density
Solubility
Melting Point
Formula C₁₄H₂₀BrN₃O₃S
Boiling Point 548.4 °C at 760 mmHg
Molecular Weight 390.301
Flash Point 285.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methanesulfonamide,N-[5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]-,monohydrobromide (9CI);A 61603;
PSA 99.17000
LogP 2.10350

Methanesulfonamide, N-[5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]-,hydrobromide (1:1) Specification

This chemical is called Methanesulfonamide, N-[5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]-,hydrobromide (1:1), and it's also named as A 61603. With the molecular formula of C₁₄H₂₀BrN₃O₃S, its molecular weight is 390.30. The CAS registry number of this chemical is 107756-30-9.

Other characteristics of the Methanesulfonamide, N-[5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]-,hydrobromide (1:1) can be summarised as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.59 Å²; (13)Flash Point: 285.5 °C; (14)Enthalpy of Vaporization: 85.9 kJ/mol; (15)Boiling Point: 548.4 °C at 760 mmHg; (16)Vapour Pressure: 1.23E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Br.O=S(=O)(Nc1c(O)ccc3c1CCCC3C/2=N/CCN\2)C
2.InChI: InChI=1/C14H19N3O3S.BrH/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18;/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16);1H
3.InChIKey: LRFLWCZMTGTUEP-UHFFFAOYAH

Product Name

A 61603 HYDROBROMIDE

Methanesulfonamide, N-[5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]-,hydrobromide (1:1) Specification

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