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Name |
Benzenamine,3-[(4-methyl-1-piperazinyl)sulfonyl]- |
EINECS | N/A |
CAS No. | 436095-35-1 | Density | N/A |
PSA | 75.02000 | LogP | 1.74270 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H17N3O2S | Boiling Point | 436.7 °C at 760 mmHg |
Molecular Weight | 255.341 | Flash Point | 217.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Piperazine,1-[(3-aminophenyl)sulfonyl]-4-methyl- (9CI);3-((4-Methylpiperazine-1-yl)sulfonyl)phenylamine;3-[(4-Methylpiperazin-1-yl)sulfonyl]aniline;3-[(4-Methylpiperazin-1-yl)sulfonyl]phenylamine;3-[(4-Methylpiperazinyl)sulfonyl]phenylamine; |
Article Data | 6 |
The Benzenamine,3-[(4-methyl-1-piperazinyl)sulfonyl]-, with the CAS registry number 436095-35-1, is also known as 3-[(4-Methylpiperazin-1-yl)sulfonyl]phenylamine. This chemical's molecular formula is C11H17N3O2S and molecular weight is 255.34. What's more, its systematic name is 3-[(4-Methylpiperazinyl)sulfonyl]phenylamine.
Physical properties of Benzenamine,3-[(4-methyl-1-piperazinyl)sulfonyl]- are: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.03; (8)ACD/KOC (pH 7.4): 21.75; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å2; (13)Flash Point: 217.9 °C; (14)Enthalpy of Vaporization: 69.32 kJ/mol; (15)Boiling Point: 436.7 °C at 760 mmHg; (16)Vapour Pressure: 7.94E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cccc(N)c1)N2CC[NH+](C)CC2
(2)InChI: InChI=1S/C11H17N3O2S/c1-13-5-7-14(8-6-13)17(15,16)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3/p+1
(3)InChIKey: LENADRWBVLFBSX-UHFFFAOYSA-O