Gabapentin HCl - ≥98% , CAS No.60142-95-2

CAS: 60142-95-2 Cat. No.: E129603 Fórmula: C₉H₁₇NO₂.HCl Peso molecular: 207.7 Número EC: 262-075-8

GRADE & PURITY ≥98%

Synonyms

1-aminomethyl-1-cyclohexaneacetic acid hydrochloride | 1-aminomethyl-1-cyclohexane-acetic acid hydrochloride | 1aminomethyl-1-cyclohexane-acetic acid hydrochloride | Gabarone | AKOS008977333 | TRIFLATE ANHYDRIDE | (1-aminomethyl)-cyclohexaneacetic acid hy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Gabapentin HCl is a GABA analogue.

Specifications

Sinónimos

1-aminomethyl-1-cyclohexaneacetic acid hydrochloride | 1-aminomethyl-1-cyclohexane-acetic acid hydrochloride | 1aminomethyl-1-cyclohexane-acetic acid hydrochloride | Gabarone | AKOS008977333 | TRIFLATE ANHYDRIDE | (1-aminomethyl)-cyclohexaneacetic acid hy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195820
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195820
• Sonrisas canónicas: C1CCC(CC1)(CC(=O)O)CN.Cl
• IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride
• InChIKey: XBUDZAQEMFGLEU-UHFFFAOYSA-N
• INCHI: 1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
• Isómeros SMILES: C1CCC(CC1)(CC(=O)O)CN.Cl
• Peso molecular: 207.7
• Reaxy-Rn: 6438841
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6438841&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Amino fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Amino fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• 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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO <1 mg/mL (<1 mM);Water 42 mg/mL (202.21 mM);Ethanol <1 mg/mL (<1 mM)
• Peso molecular: 207.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.103 Da
• Monoisotopic Mass: 207.103 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 60142-95-2, the molecular formula is C9H18ClNO2, and the molecular weight is 207.7 g/mol. InChIKey XBUDZAQEMFGLEU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.