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1643141-20-1 | 1H-Pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride (1:1)
CAS No: 1643141-20-1 Catalog No: AG001URY MDL No:
Product Description
Catalog Number:
AG001URY
Chemical Name:
1H-Pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride (1:1)
CAS Number:
1643141-20-1
Molecular Formula:
C7H11ClN4
Molecular Weight:
186.6420
IUPAC Name:
2-methyl-5-(methylaminomethyl)pyrazole-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C7H10N4.ClH/c1-9-5-6-3-7(4-8)11(2)10-6;/h3,9H,5H2,1-2H3;1H
InChI Key:
HJPCRCYMQZBXDN-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C#N)CNC.Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.643g/mol
Monoisotopic Mass:
186.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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