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N-sec-Butyl-2-chloroacetamide , CAS No.32322-73-9
Discover N-sec-Butyl-2-chloroacetamide by Aladdin Scientific in for only $499.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
N-(sec-butyl)-2-chloroacetamide | 32322-73-9 | N-butan-2-yl-2-chloroacetamide | N-(butan-2-yl)-2-chloroacetamide | N-sec-Butyl-2-chloroacetamide | MFCD00791326 | N-sec-butyl-2-chloracetamide | SCHEMBL4821600 | DTXSID50389711 | NQOKLKIMNNTVAC-UHFFFAOYSA-N | BBL003704 | STK50192
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
Chloroacetamides
Alternative Parents
Secondary carboxylic acid amides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Chloroacetamide - Secondary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as chloroacetamides. These are organic compounds with the general formula RNHC(=O)CH2Cl, where R= organyl 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.
Names and Identifiers
IUPAC Name
N-butan-2-yl-2-chloroacetamide
INCHI
InChI=1S/C6H12ClNO/c1-3-5(2)8-6(9)4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
NQOKLKIMNNTVAC-UHFFFAOYSA-N
Smiles
CCC(C)NC(=O)CCl
Isomeric SMILES
CCC(C)NC(=O)CCl
Molecular Weight
149.62
Reaxy-Rn
1749550
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749550&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
149.620 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
149.061 Da
Monoisotopic Mass
149.061 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
95.100
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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