Piperazine-1-carboxylic acid dimethylamide - ≥97% , CAS No.41340-78-7

CAS: 41340-78-7 Cat. No.: P348783 Molecular Weight: 157.21 EC Number: 674-590-9 PubChem CID: 712909

GRADE & PURITY ≥97%

Synonyms

AKOS002245260 | piperazine carboxylic acid dimethylamide | N,N-dimethyl-1-piperazinecarboxamide | MFCD01050443 | Z270760338 | HMS1551O20 | BCP18682 | Piperazine-1-carboxylic acid, dimethylamide | 1-Piperazinecarboxamide, N,N-dimethyl- | PIPERAZINE-1-CARBO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS002245260 | piperazine carboxylic acid dimethylamide | N, N-dimethyl-1-piperazinecarboxamide | MFCD01050443 | Z270760338 | HMS1551O20 | BCP18682 | Piperazine-1-carboxylic acid, dimethylamide | 1-Piperazinecarboxamide, N, N-dimethyl- | PIPERAZINE-1-CARBO

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488191214
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191214
• Canonical Smiles: CN(C)C(=O)N1CCNCC1
• IUPAC Name: N,N-dimethylpiperazine-1-carboxamide
• InChIKey: XMFYMWXCIWIHAC-UHFFFAOYSA-N
• INCHI: 1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
• Isomeric SMILES: CN(C)C(=O)N1CCNCC1
• PubChem CID: 712909
• UN Number: 1760
• Packing Group: III
• Molecular Weight: 157.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Piperazine carboxylic acids and derivatives
• Direct Parent: Piperazine carboxamides
• Alternative Parents: Ureas Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine-1-carboxamide - Carbonic acid derivative - Urea - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazine carboxamides. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxamide 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

Chemical and Physical Properties

• Boil Point(°C): 79-80° C at 0.2 mmHg
• Molecular Weight: 157.210 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.122 Da
• Monoisotopic Mass: 157.122 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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