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852431-03-9 | Benzenemethanamine, N-methyl-3-(5-pyrimidinyl)-
CAS No: 852431-03-9 Catalog No: AG004V7V MDL No:
Product Description
Catalog Number:
AG004V7V
Chemical Name:
Benzenemethanamine, N-methyl-3-(5-pyrimidinyl)-
CAS Number:
852431-03-9
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
IUPAC Name:
N-methyl-1-(3-pyrimidin-5-ylphenyl)methanamine
InChI:
InChI=1S/C12H13N3/c1-13-6-10-3-2-4-11(5-10)12-7-14-9-15-8-12/h2-5,7-9,13H,6H2,1H3
InChI Key:
AKWRDWWCLOUCIB-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1)c1cncnc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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