Home Halogens [(3,4-dichlorophenyl)methyl](ethyl)amine hydrochloride

[(3,4-dichlorophenyl)methyl](ethyl)amine hydrochloride

CAS No.:
90389-20-1
Catalog Number:
AG019W7I
Molecular Formula:
C9H12Cl3N
Molecular Weight:
240.5573
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Product Description
Catalog Number:
AG019W7I
Chemical Name:
[(3,4-dichlorophenyl)methyl](ethyl)amine hydrochloride
CAS Number:
90389-20-1
Molecular Formula:
C9H12Cl3N
Molecular Weight:
240.5573
MDL Number:
MFCD07110195
IUPAC Name:
N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H11Cl2N.ClH/c1-2-12-6-7-3-4-8(10)9(11)5-7;/h3-5,12H,2,6H2,1H3;1H
InChI Key:
HASMVVHCPCKYTJ-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(c(c1)Cl)Cl.Cl
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.552g/mol
Monoisotopic Mass:
239.004g/mol
Rotatable Bond Count:
3  
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