Methyl piperazine-1-carboxylate hydrochloride - ≥95% , CAS No.873697-75-7

CAS: 873697-75-7 Cat. No.: M195476 Peso molecular: 180.63 Número EC: 836-612-7

GRADE & PURITY ≥95%

Synonyms

DS-1744 | SCHEMBL399052 | Methyl piperazine-1-carboxylate--hydrogen chloride (1/1) | Z607822536 | methyl piperazine-1-carboxylate HCl | methyl piperazine-1-carboxylate;hydrochloride | RTMYJZVBCVZCCW-UHFFFAOYSA-N | F80381 | FT-0727061 | MFCD12912837 | AKOS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-1744 | SCHEMBL399052 | Methyl piperazine-1-carboxylate--hydrogen chloride (1/1) | Z607822536 | methyl piperazine-1-carboxylate HCl | methyl piperazine-1-carboxylate;hydrochloride | RTMYJZVBCVZCCW-UHFFFAOYSA-N | F80381 | FT-0727061 | MFCD12912837 | AKOS

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)N1CCNCC1.Cl
• IUPAC Name: methyl piperazine-1-carboxylate;hydrochloride
• InChIKey: RTMYJZVBCVZCCW-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O2.ClH/c1-10-6(9)8-4-2-7-3-5-8;/h7H,2-5H2,1H3;1H
• Isómeros SMILES: COC(=O)N1CCNCC1.Cl
• Peso molecular: 180.63
• Reaxy-Rn: 14506643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14506643&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines
        • Level5 Piperazine carboxylic acids and derivatives
          • Level6 Piperazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Piperazine carboxylic acids and derivatives
• Direct Parent: Piperazine carboxylic acids
• Alternative Parents: Methylcarbamates Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine-1-carboxylic acid - Methylcarbamate - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Hydrochloride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
• 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: 180.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.067 Da
• Monoisotopic Mass: 180.067 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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