Home Halogens 3,5-Dichloro-N-MethylbenzylaMine hydrochloride

3,5-Dichloro-N-MethylbenzylaMine hydrochloride

CAS No.:
90389-22-3
Catalog Number:
AG00GUAA
Molecular Formula:
C8H10Cl3N
Molecular Weight:
226.5307
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Product Description
Catalog Number:
AG00GUAA
Chemical Name:
3,5-Dichloro-N-MethylbenzylaMine hydrochloride
CAS Number:
90389-22-3
Molecular Formula:
C8H10Cl3N
Molecular Weight:
226.5307
MDL Number:
MFCD01657245
IUPAC Name:
1-(3,5-dichlorophenyl)-N-methylmethanamine;hydrochloride
InChI:
InChI=1S/C8H9Cl2N.ClH/c1-11-5-6-2-7(9)4-8(10)3-6;/h2-4,11H,5H2,1H3;1H
InChI Key:
YMCOTVZJEIJWKV-UHFFFAOYSA-N
SMILES:
CNCc1cc(Cl)cc(c1)Cl.Cl
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.988g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.525g/mol
Monoisotopic Mass:
224.988g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties