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179873-47-3 | Benzenemethanamine, N-methyl-4-(1-methyl-1H-pyrazol-3-yl)-
CAS No: 179873-47-3 Catalog No: AG0027B0 MDL No:MFCD09702353
Product Description
Catalog Number:
AG0027B0
Chemical Name:
Benzenemethanamine, N-methyl-4-(1-methyl-1H-pyrazol-3-yl)-
CAS Number:
179873-47-3
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD09702353
IUPAC Name:
N-methyl-1-[4-(1-methylpyrazol-3-yl)phenyl]methanamine
InChI:
InChI=1S/C12H15N3/c1-13-9-10-3-5-11(6-4-10)12-7-8-15(2)14-12/h3-8,13H,9H2,1-2H3
InChI Key:
BBOCGPKUAXCMLG-UHFFFAOYSA-N
SMILES:
CNCc1ccc(cc1)c1ccn(n1)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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