-
Name
3-AMINO-N-ISOPROPYLBENZENESULFONAMIDE
- EINECS
- CAS No. 118837-66-4
- Article Data3
- CAS DataBase
- Density 1.219 g/cm3
- Solubility
- Melting Point
- Formula C9H14N2O2S
- Boiling Point 384 °C at 760 mmHg
- Molecular Weight 214.288
- Flash Point 186 °C
- Transport Information
- Appearance
- Safety
-
Risk Codes
Xi:Irritant;
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 3-Amino-N-isopropylbenzenesulfonamide;
- PSA 80.57000
- LogP 3.00840
Benzenesulfonamide,3-amino-N-(1-methylethyl)- Specification
The Benzenesulfonamide, 3-amino-N-(1-methylethyl)-, with the CAS registry number of 118837-66-4, is also known as 3-Amino-N-isopropylbenzenesulfonamide. It belongs to the product categories of Amines; Blocks; Sulfonamides. This chemical's molecular formula is C9H14N2O2S and molecular weight is 214.28466. What's more, its systematic name is called 3-Amino-N-(1-methylethyl)benzenesulfonamide. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenesulfonamide, 3-amino-N-(1-methylethyl)- are: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 35.7; (8)ACD/KOC (pH 7.4): 35.79; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 80.57 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 56.7 cm3; (15)Molar Volume: 175.6 cm3; (16)Surface Tension: 46 dyne/cm; (17)Density: 1.219 g/cm3; (18)Flash Point: 186 °C; (19)Enthalpy of Vaporization: 63.26 kJ/mol; (20)Boiling Point: 384 °C at 760 mmHg; (21)Vapour Pressure: 4.23E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(NC(C)C)c1cccc(N)c1
(2) InChI: InChI=1/C9H14N2O2S/c1-7(2)11-14(12,13)9-5-3-4-8(10)6-9/h3-7,11H,10H2,1-2H3
(3) InChIKey: NIUZLEBXTLRCKA-UHFFFAOYAV
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