Product Name

  • Name

    4-[CYCLOHEXYLAMINO]-1-BUTANESULFONIC ACID

  • EINECS
  • CAS No. 161308-34-5
  • Density 1.171 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H21NO3S
  • Boiling Point
  • Molecular Weight 235.34
  • Flash Point
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 161308-34-5 (4-[CYCLOHEXYLAMINO]-1-BUTANESULFONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms CABS;4-(Cyclohexylamino)-1-butanesulfonic acid;
  • PSA 74.78000
  • LogP 3.04840

4-(Cyclohexylamino)butane-1-sulfonic acid Specification

The 1-Butanesulfonic acid,4-(cyclohexylamino)-, with the CAS registry number 161308-34-5, is also known as 4-(Cyclohexylamino)-1-butanesulfonic acid. This chemical's molecular formula is C10H21NO3S and molecular weight is 235.34. What's more, its IUPAC name is called 4-(Cyclohexylamino)butane-1-sulfonic acid.

Physical properties about 1-Butanesulfonic acid,4-(cyclohexylamino)- are: (1)ACD/LogP: 0.348; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.15; (4)ACD/LogD (pH 7.4): -2.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 74.78 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 60.288 cm3; (15)Molar Volume: 200.985 cm3; (16)Polarizability: 23.9×10-24cm3; (17)Surface Tension: 46.1679992675781 dyne/cm; (18)Density: 1.171 g/cm3.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)CCCCNC1CCCCC1
(2) InChI: InChI=1S/C10H21NO3S/c12-15(13,14)9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13,14)
(3) InChIKey: XNPKNHHFCKSMRV-UHFFFAOYSA-N

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