Cycloheptanecarboxamide - ≥97% , CAS No.1459-39-8

CAS: 1459-39-8 Cat. No.: C190976 분자식: C₈H₁₅NO 분자량: 141.21

GRADE & PURITY ≥97%

Synonyms

A884563 | SCHEMBL215922 | Cycloheptanecarboxamide | EN300-6735327 | C72770 | DTXSID50163174 | TS-01843 | AKOS011881793 | BAA45939 | MFCD16808567

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

동의어

A884563 | SCHEMBL215922 | Cycloheptanecarboxamide | EN300-6735327 | C72770 | DTXSID50163174 | TS-01843 | AKOS011881793 | BAA45939 | MFCD16808567

사양 및 순도

≥97%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥97%

이름과 식별자

정식 스마일

C1CCCC(CC1)C(=O)N

IUPAC Name

cycloheptanecarboxamide

InChIKey

QJVFPOMUIKCQED-UHFFFAOYSA-N

INCHI

1S/C8H15NO/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H2,9,10)

이성체 SMILES

C1CCCC(CC1)C(=O)N

분자량

141.21

Reaxy-Rn

1932063

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1932063&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Primary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Primary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• 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

화학 및 물리적 특성

• 분자량: 141.210 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 141.115 Da
• Monoisotopic Mass: 141.115 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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