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1015845-74-5 | 1H-Pyrazole-4-methanamine, 1-(2-methoxyphenyl)-α-methyl-
CAS No: 1015845-74-5 Catalog No: AG0004VC MDL No:MFCD08691422
Product Description
Catalog Number:
AG0004VC
Chemical Name:
1H-Pyrazole-4-methanamine, 1-(2-methoxyphenyl)-α-methyl-
CAS Number:
1015845-74-5
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD08691422
IUPAC Name:
1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethanamine
InChI:
InChI=1S/C12H15N3O/c1-9(13)10-7-14-15(8-10)11-5-3-4-6-12(11)16-2/h3-9H,13H2,1-2H3
InChI Key:
CRWJMJCQAZOMHK-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1ncc(c1)C(N)C
Properties
Complexity:
224
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:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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