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

CAS: 2455-04-1 Cat. No.: C168978 Formule: C₄H₈ClNO Poids moléculaire: 121.57 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Protected from light,Room temperature,Desiccated

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 488185129
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185129
• Sourires canoniques: 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)
• Isomères SMILES: C(CC(=O)N)CCl
• Poids moléculaire: 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
    • Classe Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 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