Clorhidrato de 7-aminoheptanoato de metilo - ≥97% , CAS No.17994-94-4

CAS: 17994-94-4 Cat. No.: M191642 Peso molecular: 195.69 Número EC: 682-559-6

GRADE & PURITY ≥97%

Synonyms

methyl 7-aminoheptanoate hydrochloride | methyl 7-amino-heptanoate hydrochloride | DS-14415 | methyl 7-aminoheptanoate HCl | Methyl 7-aminoheptanoate--hydrogen chloride (1/1) | 7-Aminoheptanoic acid methyl ester hydrochloride | DTXSID50550101 | 7-Amino-he

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

methyl 7-aminoheptanoate hydrochloride | methyl 7-amino-heptanoate hydrochloride | DS-14415 | methyl 7-aminoheptanoate HCl | Methyl 7-aminoheptanoate--hydrogen chloride (1/1) | 7-Aminoheptanoic acid methyl ester hydrochloride | DTXSID50550101 | 7-Amino-he

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504767508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767508
• Sonrisas canónicas: COC(=O)CCCCCCN.Cl
• IUPAC Name: methyl 7-aminoheptanoate;hydrochloride
• InChIKey: CHMAEAFFKRYPQT-UHFFFAOYSA-N
• INCHI: 1S/C8H17NO2.ClH/c1-11-8(10)6-4-2-3-5-7-9;/h2-7,9H2,1H3;1H
• Isómeros SMILES: COC(=O)CCCCCCN.Cl
• CAS alternativo: 39979-08-3
• Peso molecular: 195.69
• Reaxy-Rn: 5602327
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5602327&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl 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

• Peso molecular: 195.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 195.103 Da
• Monoisotopic Mass: 195.103 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 104.000
• 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

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