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2-Chloro-N-methylaniline, HCl - 98%, high purity , CAS No.1187385-64-3
Discover 2-Chloro-N-methylaniline, HCl by Aladdin Scientific in 98% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Chloro-N-methylaniline hydrochloride | 1187385-64-3 | 2-Chloro-N-methylaniline, HCl | 2-chloro-N-methylaniline;hydrochloride | 2-Chloro-N-methylaniline HCl | 2-Chloro-N-methylanilinehydrochloride | 2-Chloro-N-methylaniline,hcl | DTXSID50675161 | MFCD12756437 | AKOS015908
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Aralkylamines
Direct Parent
Phenylalkylamines
Alternative Parents
Aniline and substituted anilines Secondary alkylarylamines Chlorobenzenes Aryl chlorides Organochlorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Secondary amine - Hydrocarbon derivative - Hydrochloride - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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
2-chloro-N-methylaniline;hydrochloride
INCHI
InChI=1S/C7H8ClN.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5,9H,1H3;1H
InChIKey
BAICYTXRERVYMP-UHFFFAOYSA-N
Smiles
CNC1=CC=CC=C1Cl.Cl
Isomeric SMILES
CNC1=CC=CC=C1Cl.Cl
PubChem CID
46739562
Molecular Weight
178.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
178.060 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
177.011 Da
Monoisotopic Mass
177.011 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
85.000
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
2
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