Benzenesulfonamide,3-amino-4-(butylamino)- supplier

Name
3-AMINO-4-BUTYLAMINO-BENZENESULFONAMIDE
EINECS
CAS No. 1565-51-1
Density 1.283 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇N₃O₂S
Boiling Point 461.9 °C at 760 mmHg
Molecular Weight 243.33
Flash Point 233.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-4-(butylamino)benzenesulfonamide;
PSA 106.59000
LogP 3.56350

Benzenesulfonamide,3-amino-4-(butylamino)- Specification

The CAS registry number of Benzenesulfonamide,3-amino-4-(butylamino)- is 1565-51-1. Its molecular formula is C₁₀H₁₇N₃O₂S and molecular weight is 243.3259. Its systematic name and IUPAC name are the same which is called 3-Amino-4-(butylamino)benzenesulfonamide.

Physical properties about Benzenesulfonamide,3-amino-4-(butylamino)- are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1.35; (7)ACD/KOC (pH 5.5): 41.92; (8)ACD/KOC (pH 7.4): 43.22; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6 ; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 64.97 cm³; (14)Molar Volume: 189.6 cm³; (15)Surface Tension: 59.9 dyne/cm; (16)Density: 1.283 g/cm³; (17)Flash Point: 233.1 °C; (18)Enthalpy of Vaporization: 72.28 kJ/mol; (19)Boiling Point: 461.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(NCCCC)c(c1)N)N
(2)InChI: InChI=1/C10H17N3O2S/c1-2-3-6-13-10-5-4-8(7-9(10)11)16(12,14)15/h4-5,7,13H,2-3,6,11H2,1H3,(H2,12,14,15)
(3)InChIKey: PUQATVLNDHSIGA-UHFFFAOYAO

Product Name

3-AMINO-4-BUTYLAMINO-BENZENESULFONAMIDE

Benzenesulfonamide,3-amino-4-(butylamino)- Specification

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