N-Butylpropionamide - ≥99% , CAS No.2955-67-1

CAS: 2955-67-1 Cat. No.: N159294 Formula: C₇H₁₅NO Peso molecolare: 129.20

GRADE & PURITY ≥99%

Synonyms

D88679 | XQZDWKBCGAJXLC-UHFFFAOYSA-N | SCHEMBL277343 | B0738 | N-Butylpropionamide | NSC6002 | NSC-6002 | Propanamide, N-butyl- | MFCD00059416 | DTXSID80278088 | N-Butylpropanamide | InChI=1/C7H15NO/c1-3-5-6-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9 | N-n-Butylpropio

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinonimi

D88679 | XQZDWKBCGAJXLC-UHFFFAOYSA-N | SCHEMBL277343 | B0738 | N-Butylpropionamide | NSC6002 | NSC-6002 | Propanamide, N-butyl- | MFCD00059416 | DTXSID80278088 | N-Butylpropanamide | InChI=1/C7H15NO/c1-3-5-6-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9 | N-n-Butylpropio

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged,Desiccated

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: CCCCNC(=O)CC
• IUPAC Name: N-butylpropanamide
• InChIKey: XQZDWKBCGAJXLC-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO/c1-3-5-6-8-7(9)4-2/h3-6H2,1-2H3,(H,8,9)
• Isomeri SMILES: CCCCNC(=O)CC
• Peso molecolare: 129.20
• Reaxy-Rn: 1745553
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745553&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.44
• Punto di infiammabilità (°C): 122 °C
• Punto di ebollizione (°C): 237°C(lit.)
• Peso molecolare: 129.199 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 129.115 Da
• Monoisotopic Mass: 129.115 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 81.000
• 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