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918812-43-8 | 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanamine
CAS No: 918812-43-8 Catalog No: AG00JF3J MDL No:MFCD04971081
Product Description
Catalog Number:
AG00JF3J
Chemical Name:
1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanamine
CAS Number:
918812-43-8
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD04971081
IUPAC Name:
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C12H15N3.ClH/c1-9-7-10(2)15(14-9)12-6-4-3-5-11(12)8-13;/h3-7H,8,13H2,1-2H3;1H
InChI Key:
UYTZOUDCEBMESI-UHFFFAOYSA-N
SMILES:
NCc1ccccc1n1nc(cc1C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.731g/mol
Monoisotopic Mass:
237.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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