4-Chlorobutanamide - ≥95% , CAS No.2455-04-1

CAS: 2455-04-1 Cat. No.: C168978 Summenformel: C₄H₈ClNO Molekulargewicht: 121.57 EG-Nummer: 219-526-9

GRADE & PURITY ≥95%

Synonyms

4-chlorobutanamide|2455-04-1|4-Chlorobutyramide|Butanamide, 4-chloro-|3L3TW24CTR|MFCD09739619|NSC-19916|NSC19916|UNII-3L3TW24CTR|SCHEMBL112079|DTXSID40179289|XYOXIERJKILWCG-UHFFFAOYSA-N|EINECS 219-526-9|NSC 19916|STL261750|AKOS000146112|LS-06129|EN300-643

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

4-chlorobutanamide | 2455-04-1 | 4-Chlorobutyramide | Butanamide, 4-chloro- | 3L3TW24CTR | MFCD09739619 | NSC-19916 | NSC19916 | UNII-3L3TW24CTR | SCHEMBL112079 | DTXSID40179289 | XYOXIERJKILWCG-UHFFFAOYSA-N | EINECS 219-526-9 | NSC 19916 | STL261750 | AKOS000146112 | LS-06129 | EN300-643

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488185129
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185129
• Kanonisches Lächeln: C(CC(=O)N)CCl
• IUPAC Name: 4-chlorobutanamide
• InChIKey: XYOXIERJKILWCG-UHFFFAOYSA-N
• INCHI: 1S/C4H8ClNO/c5-3-1-2-4(6)7/h1-3H2,(H2,6,7)
• Isomere SMILES: C(CC(=O)N)CCl
• Molekulargewicht: 121.57
• Reaxy-Rn: 1700273
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700273&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty amides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty amide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 121.560 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 121.029 Da
• Monoisotopic Mass: 121.029 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.700
• 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