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CAS No.: | 1829-82-9 |
---|---|
Name: | 4-amino-N-butylbenzenesulfonamide |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H16N2O2S |
Molecular Weight: | 228.315 |
Synonyms: | Sulfanilamide,N1-butyl- (7CI);4-Amino-N-butylbenzenesulfonamide;NSC 151244; |
Density: | 1.19 g/cm3 |
Boiling Point: | 388.8 °C at 760 mmHg |
Flash Point: | 188.9 °C |
PSA: | 80.57000 |
LogP: | 3.40010 |
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The CAS registry number of Benzenesulfonamide,4-amino-N-butyl- is 1829-82-9. This chemical is also named as [(4-Aminophenyl)sulfonyl]butylamine. In addition, its molecular formula is C10H16N2O2S and molecular weight is 228.3112. Its systematic name and IUPAC name are the same which is called 4-amino-N-butylbenzenesulfonamide.
Physical properties about Benzenesulfonamide,4-amino-N-butyl- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.552; (7)Molar Refractivity: 61.35 cm3; (8)Molar Volume: 191.8 cm3; (9)Surface Tension: 46 dyne/cm; (10)Density: 1.19 g/cm3; (11)Flash Point: 188.9 °C; (12)Enthalpy of Vaporization: 63.8 kJ/mol; (13)Boiling Point: 388.8 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(N)cc1)NCCCC
(2)InChI: InChI=1/C10H16N2O2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h4-7,12H,2-3,8,11H2,1H3
(3)InChIKey: XXRNQEBDIQPZRC-UHFFFAOYAQ