Product Name

  • Name

    4-[(4-Methylpiperazine-1-)sulfonyl]aniline

  • EINECS
  • CAS No. 21623-68-7
  • Article Data13
  • CAS DataBase
  • Density 1.289 g/cm3
  • Solubility
  • Melting Point 228-229 °C
  • Formula C11H17N3O2S
  • Boiling Point 424.1 °C at 760 mmHg
  • Molecular Weight 255.341
  • Flash Point 210.3 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 21623-68-7 (4-[(4-Methylpiperazine-1-)sulfonyl]aniline)
  • Hazard Symbols IrritantXi
  • Synonyms Piperazine,1-[(4-aminophenyl)sulfonyl]-4-methyl- (9CI);Piperazine, 1-methyl-4-sulfanilyl-(8CI);4-(4'-Sulfanilyl)-1-methylpiperazine;4-[(4-Methyl-1-piperazinyl)sulfonyl]aniline;
  • PSA 75.02000
  • LogP 1.74270

4-[(4-Methylpiperazine-1-)sulfonyl]aniline Specification

This chemical is called 4-[(4-Methylpiperazine-1-)sulfonyl]aniline, and it can also be named as Benzenamine, 4-[(4-methyl-1-piperazinyl)sulfonyl]-. With the molecular formula of C11H17N3O2S, its molecular weight is 255.34. The CAS registry number of this chemical is 21623-68-7. In addition, the product categories of this chemical are Piperazines.

Other characteristics of the 4-[(4-Methylpiperazine-1-)sulfonyl]aniline can be summarised as followings: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.06; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.28; (7)ACD/KOC (pH 5.5): 8.77; (8)ACD/KOC (pH 7.4): 61.37; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.24 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 68.06 cm3; (15)Molar Volume: 198.1 cm3; (16)Polarizability: 26.98×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 210.3 °C; (20)Enthalpy of Vaporization: 67.86 kJ/mol; (21)Boiling Point: 424.1 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(N1CCN(C)CC1)c2ccc(N)cc2
2.InChI: InChI=1/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
3.InChIKey: YEKKOBZSGMPECJ-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
5.Std. InChIKey: YEKKOBZSGMPECJ-UHFFFAOYSA-N

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