Benzenesulfonamide,3-amino-N-cyclopropyl- supplier

Name
3-AMINO-N-CYCLOPROPYLBENZENESULFONAMIDE
EINECS
CAS No. 459434-39-0
Article Data4
CAS DataBase
Density 1.39 g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂O₂S
Boiling Point 416.5 °C at 760 mmHg
Molecular Weight 212.272
Flash Point 205.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Amino-N-cyclopropylbenzenesulfonamide;
PSA 80.57000
LogP 2.76240

Benzenesulfonamide,3-amino-N-cyclopropyl- Specification

The CAS registry number of Benzenesulfonamide,3-amino-N-cyclopropyl- is 459434-39-0. It belongs to the product categories of Amines; Sulfonamides. This chemical is also named as N-Cyclopropyl 3-aminobenzenesulfonamide. In addition, its molecular formula is C₉H₁₂N₂O₂S and molecular weight is 212.27. Its systematic name and IUPAC name are the same which is called 3-amino-N-cyclopropylbenzenesulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenesulfonamide,3-amino-N-cyclopropyl- are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.8; (8)ACD/KOC (pH 7.4): 18.85; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 54.66 cm³; (14)Molar Volume: 152.1 cm³; (15)Surface Tension: 62.6 dyne/cm; (16)Density: 1.39 g/cm³; (17)Flash Point: 205.7 °C; (18)Enthalpy of Vaporization: 66.98 kJ/mol; (19)Boiling Point: 416.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(N)ccc1)NC2CC2
(2)InChI: InChI=1/C9H12N2O2S/c10-7-2-1-3-9(6-7)14(12,13)11-8-4-5-8/h1-3,6,8,11H,4-5,10H2
(3)InChIKey:MEFGSBDEWJXTLO-UHFFFAOYAC

Product Name

3-AMINO-N-CYCLOPROPYLBENZENESULFONAMIDE

Benzenesulfonamide,3-amino-N-cyclopropyl- Specification

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