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1015846-14-6 | 1H-Pyrazole-4-methanamine, 1-(3-methoxyphenyl)-N-methyl-
CAS No: 1015846-14-6 Catalog No: AG0004VW MDL No:MFCD09055227
Product Description
Catalog Number:
AG0004VW
Chemical Name:
1H-Pyrazole-4-methanamine, 1-(3-methoxyphenyl)-N-methyl-
CAS Number:
1015846-14-6
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD09055227
IUPAC Name:
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylmethanamine
InChI:
InChI=1S/C12H15N3O/c1-13-7-10-8-14-15(9-10)11-4-3-5-12(6-11)16-2/h3-6,8-9,13H,7H2,1-2H3
InChI Key:
ZGPJXPOICQUTNV-UHFFFAOYSA-N
SMILES:
CNCc1cnn(c1)c1cccc(c1)OC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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