Home Halogens [(4-chlorophenyl)(pyrimidin-2-yl)methyl](methyl)amine

[(4-chlorophenyl)(pyrimidin-2-yl)methyl](methyl)amine

CAS No.:
1178951-36-4
Catalog Number:
AG019U2X
Molecular Formula:
C12H12ClN3
Molecular Weight:
233.6968
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Product Description
Catalog Number:
AG019U2X
Chemical Name:
[(4-chlorophenyl)(pyrimidin-2-yl)methyl](methyl)amine
CAS Number:
1178951-36-4
Molecular Formula:
C12H12ClN3
Molecular Weight:
233.6968
MDL Number:
MFCD12762840
IUPAC Name:
1-(4-chlorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
InChI:
InChI=1S/C12H12ClN3/c1-14-11(12-15-7-2-8-16-12)9-3-5-10(13)6-4-9/h2-8,11,14H,1H3
InChI Key:
USFVRQPENBTQNL-UHFFFAOYSA-N
SMILES:
CNC(c1ncccn1)c1ccc(cc1)Cl
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.699g/mol
Monoisotopic Mass:
233.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties