CAPS - UltraBio™, Ultra pure, ≥99% , CAS No.1135-40-6

CAS: 1135-40-6 Cat. No.: C431511 Peso molecular: 221.32 Beilstein Registry Number: 2835588 Número EC: 214-492-1

GRADE & PURITY UltraBio™, Ultra pure, ≥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

Shipped In

Normal

Specifications

Sinónimos

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

Especificaciones y pureza

UltraBio™, Ultra pure, ≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Ultra pure, UltraBio™

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: C1CCC(CC1)NCCCS(=O)(=O)O
• WGK Alemania: 3
• RTECS: TZ6395000
• Peso molecular: 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
    • Clase Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: H2O: 0.5M at20°C, clear, colorless
• Punto de fusión (°C): 324°C
• Peso molecular: 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

Referencias

1. Shouping Xu, Renchang Zeng, Jiang Cheng, Zhiqi Cai, Xiufang Wen, Pihui Pi.  (2013)  Preparation of antimicrobial polycarboxybetaine-based hydrogels for studies of drug loading and release.  JOURNAL OF APPLIED POLYMER SCIENCE,  131  (3):   [PMID:] [10.1002/app.39839]