CAPS sodium salt(CAPS-NA) - ≥98% , CAS No.105140-23-6

CAS: 105140-23-6 Cat. No.: C179024 Summenformel: C₉H₁₈NO₃S.Na Molekulargewicht: 243.3

GRADE & PURITY ≥98%

Synonyms

1-Propanesulfonicacid, 3-(cyclohexylamino)-, sodium salt (1:1) | DTXSID70635424 | sodium 3-(cyclohexylamino)propane-1-sulfonate | FT-0613741 | SCHEMBL3857079 | Caps sodium salt | F20336 | sodium;3-(cyclohexylamino)propane-1-sulfonate | AKOS025294017 | C9H

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-Propanesulfonicacid, 3-(cyclohexylamino)-, sodium salt (1:1) | DTXSID70635424 | sodium 3-(cyclohexylamino)propane-1-sulfonate | FT-0613741 | SCHEMBL3857079 | Caps sodium salt | F20336 | sodium;3-(cyclohexylamino)propane-1-sulfonate | AKOS025294017 | C9H

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504769533

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769533

Kanonisches Lächeln

C1CCC(CC1)NCCCS(=O)(=O)[O-].[Na+]

IUPAC Name

sodium;3-(cyclohexylamino)propane-1-sulfonate

InChIKey

ZFIDLTODXGXBFM-UHFFFAOYSA-M

INCHI

1S/C9H19NO3S.Na/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9;/h9-10H,1-8H2,(H,11,12,13);/q;+1/p-1

Isomere SMILES

C1CCC(CC1)NCCCS(=O)(=O)[O-].[Na+]

Molekulargewicht

243.3

Reaxy-Rn

36147617

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36147617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Dialkylamines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Secondary aliphatic amine - Secondary amine - Organic alkali metal salt - Amine - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organic oxygen compound - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 243.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 243.091 Da
• Monoisotopic Mass: 243.091 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 245.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3