2-(1-(((tert-Butoxycarbonyl)amino)methyl)cyclohexyl)acetic acid(Boc-GPN) - ≥97% , CAS No.227626-60-0

CAS: 227626-60-0 Cat. No.: A700182 Peso molecular: 271.36 Número EC: 864-755-5

GRADE & PURITY ≥97%

Synonyms

Boc-gabapentin | [1-(tert-Butoxycarbonylamino-methyl)-cyclohexyl]-aceticacid | 2-[1-[(Boc-amino)methyl]cyclohexyl]-aceticacid | 2-N-Boc-aMinoMethyl-2-cyclohexylaceticacid | Boc-Gabapentin(Boc-GPN) | GabapentinImpurity27

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Boc-gabapentin | [1-(tert-Butoxycarbonylamino-methyl)-cyclohexyl]-aceticacid | 2-[1-[(Boc-amino)methyl]cyclohexyl]-aceticacid | 2-N-Boc-aMinoMethyl-2-cyclohexylaceticacid | Boc-Gabapentin(Boc-GPN) | GabapentinImpurity27

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NCC1(CCCCC1)CC(=O)O
• IUPAC Name: 2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetic acid
• InChIKey: YOOHANJKYCQHED-UHFFFAOYSA-N
• INCHI: 1S/C14H25NO4/c1-13(2,3)19-12(18)15-10-14(9-11(16)17)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
• Isómeros SMILES: CC(C)(C)OC(=O)NCC1(CCCCC1)CC(=O)O
• Peso molecular: 271.36

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: Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 422.9°C at 760 mmHg
• Peso molecular: 271.350 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 271.178 Da
• Monoisotopic Mass: 271.178 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 327.000
• 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