Home Halogens N-methyl-3,5-dichlorobenzylamine

N-methyl-3,5-dichlorobenzylamine

CAS No.:
90390-21-9
Catalog Number:
AG00GVRE
Molecular Formula:
C8H9Cl2N
Molecular Weight:
190.0698
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Product Description
Catalog Number:
AG00GVRE
Chemical Name:
N-methyl-3,5-dichlorobenzylamine
CAS Number:
90390-21-9
Molecular Formula:
C8H9Cl2N
Molecular Weight:
190.0698
MDL Number:
MFCD00196813
IUPAC Name:
1-(3,5-dichlorophenyl)-N-methylmethanamine
InChI:
InChI=1S/C8H9Cl2N/c1-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
InChI Key:
SSTJQZMMDIIKBR-UHFFFAOYSA-N
SMILES:
CNCc1cc(Cl)cc(c1)Cl
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.011g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.067g/mol
Monoisotopic Mass:
189.011g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties