Home Halogens 4-chloro-N-(pyridin-3-ylmethyl)aniline

4-chloro-N-(pyridin-3-ylmethyl)aniline

CAS No.:
29083-43-0
Catalog Number:
AG019UWR
Molecular Formula:
C12H11ClN2
Molecular Weight:
218.6821
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Product Description
Catalog Number:
AG019UWR
Chemical Name:
4-chloro-N-(pyridin-3-ylmethyl)aniline
CAS Number:
29083-43-0
Molecular Formula:
C12H11ClN2
Molecular Weight:
218.6821
MDL Number:
MFCD00178007
IUPAC Name:
4-chloro-N-(pyridin-3-ylmethyl)aniline
InChI:
InChI=1S/C12H11ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChI Key:
MLOJAKGCMJIRQY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NCc1cccnc1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.684g/mol
Monoisotopic Mass:
218.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties