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892502-08-8 | Benzenemethanamine,N-methyl-4-(1H-pyrazol-1-ylmethyl)-
CAS No: 892502-08-8 Catalog No: AG0041V7 MDL No:MFCD08690302
Product Description
Catalog Number:
AG0041V7
Chemical Name:
Benzenemethanamine,N-methyl-4-(1H-pyrazol-1-ylmethyl)-
CAS Number:
892502-08-8
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD08690302
IUPAC Name:
N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
InChI:
InChI=1S/C12H15N3/c1-13-9-11-3-5-12(6-4-11)10-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3
InChI Key:
BQLXMVISWVMAID-UHFFFAOYSA-N
SMILES:
CNCc1ccc(cc1)Cn1cccn1
Properties
Complexity:
176
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:
4
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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