CAPS - Anhydrous Grade, ≥99% , CAS No.1135-40-6

CAS: 1135-40-6 Cat. No.: C431512 Summenformel: C₉H₁₉NO₃S Molekulargewicht: 221.32 Beilstein Registry Number: 2835588 EG-Nummer: 214-492-1

GRADE & PURITY Anhydrous Grade, ≥99%

Synonyms

3-CyclohexylaminopropanesulfonicAcid | 3-(Cyclohexylamino)-propane sulfonic acid (CAPS) | CAPS, BioUltra, >=99.0% (TLC) | N-Cyclohexyl-3-aminopropanesulfonic acid | BUFFER CAPS HIGH-PURITY GRADE 1KG | DB02219 | A803066 | SCHEMBL4441928 | 1H-Purine-2,6-dio

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

3-CyclohexylaminopropanesulfonicAcid | 3-(Cyclohexylamino)-propane sulfonic acid (CAPS) | CAPS, BioUltra, >=99.0% (TLC) | N-Cyclohexyl-3-aminopropanesulfonic acid | BUFFER CAPS HIGH-PURITY GRADE 1KG | DB02219 | A803066 | SCHEMBL4441928 | 1H-Purine-2,6-dio

Spezifikationen & Reinheit

Anhydrous Grade, ≥99%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Note

Anhydrous Grade

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

C1CCC(CC1)NCCCS(=O)(=O)O

IUPAC Name

3-(cyclohexylamino)propane-1-sulfonic acid

InChIKey

PJWWRFATQTVXHA-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1CCC(CC1)NCCCS(=O)(=O)O

WGK Deutschland

3

RTECS

TZ6395000

Molekulargewicht

221.32

Beilstein

2835588

Reaxy-Rn

2835588

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2835588&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 Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Amine - 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

• Löslichkeit: water: 15% (w/w), clear, colorless
• Schmelzpunkt (°C): 324°C
• Molekulargewicht: 221.320 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 221.109 Da
• Monoisotopic Mass: 221.109 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 239.000
• 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: 1