Home Halogens N-(2,4-Dichlorobenzyl)ethanamine

N-(2,4-Dichlorobenzyl)ethanamine

CAS No.:
90390-15-1
Catalog Number:
AG003SZL
Molecular Formula:
C9H11Cl2N
Molecular Weight:
204.0963
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Product Description
Catalog Number:
AG003SZL
Chemical Name:
N-(2,4-Dichlorobenzyl)ethanamine
CAS Number:
90390-15-1
Molecular Formula:
C9H11Cl2N
Molecular Weight:
204.0963
MDL Number:
MFCD00045186
IUPAC Name:
N-[(2,4-dichlorophenyl)methyl]ethanamine
InChI:
InChI=1S/C9H11Cl2N/c1-2-12-6-7-3-4-8(10)5-9(7)11/h3-5,12H,2,6H2,1H3
InChI Key:
MAJQQCVMLVPMIW-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(cc1Cl)Cl
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.094g/mol
Monoisotopic Mass:
203.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties