5-Isoquinolinesulfonamide,N-(2-aminoethyl)- supplier

Name
H-9 2HCL
EINECS
CAS No. 84468-17-7
Article Data14
CAS DataBase
Density 1.339 g/cm³
Solubility
Melting Point 110-112 °C
Formula C₁₁H₁₃N₃O₂S
Boiling Point 479.8 °C at 760 mmHg
Molecular Weight 251.309
Flash Point 243.9 °C
Transport Information
Appearance yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(2-aminoethyl)isoquinoline-5-sulfonamide;Isoquinoline-5-sulfonic acid N-(2-aminoethyl)amide;N-(2-Aminoethyl)-5-isoquinolinesulfonamide;N-(2-Aminoethyl)-5-isoquinolinesulfonic acid amide;
PSA 93.46000
LogP 2.64380

5-Isoquinolinesulfonamide,N-(2-aminoethyl)- Specification

The 5-Isoquinolinesulfonamide,N-(2-aminoethyl)-, with the CAS registry number 84468-17-7, has the systematic name of N-(2-aminoethyl)isoquinoline-5-sulfonamide. And the molecular formula of this chemical is C₁₁H₁₃N₃O₂S. It is a kind of yellow solid, and belongs to the following product categories: All Inhibitors; Inhibitors; Protein Kinase Inhibitors and Activators; Protein Kinase. In addition, it should be stored at -20°C.

The physical properties of 5-Isoquinolinesulfonamide,N-(2-aminoethyl)- are as following: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.6; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.8; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.89 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 67.46 cm³; (15)Molar Volume: 187.5 cm³; (16)Polarizability: 26.74×10^-24cm³; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.339 g/cm³; (19)Flash Point: 243.9 °C; (20)Enthalpy of Vaporization: 74.41 kJ/mol; (21)Boiling Point: 479.8 °C at 760 mmHg; (22)Vapour Pressure: 2.3E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cccc2c1ccnc2)NCCN
(2)InChI: InChI=1/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
(3)InChIKey: DCVZSHVZGVWQKV-UHFFFAOYAJ

Product Name

H-9 2HCL

5-Isoquinolinesulfonamide,N-(2-aminoethyl)- Specification

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