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40027-64-3 | 3,5-Dimethyl-1H-pyrazole-1-carboxamidine hydrochloride
CAS No: 40027-64-3 Catalog No: AG0033JO MDL No:MFCD01693599
Product Description
Catalog Number:
AG0033JO
Chemical Name:
3,5-Dimethyl-1H-pyrazole-1-carboxamidine hydrochloride
CAS Number:
40027-64-3
Molecular Formula:
C6H11ClN4
Molecular Weight:
174.6313
MDL Number:
MFCD01693599
IUPAC Name:
3,5-dimethylpyrazole-1-carboximidamide;hydrochloride
InChI:
InChI=1S/C6H10N4.ClH/c1-4-3-5(2)10(9-4)6(7)8;/h3H,1-2H3,(H3,7,8);1H
InChI Key:
UOLOESWKXGHYCY-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1C(=N)N)C.Cl
NSC Number:
51109
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
174.632g/mol
Monoisotopic Mass:
174.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| FT-IR and theoretical study of 3,5-dimethyl-1H-pyrazole-1-carboxamidine (L) and the complexes CoL2(H2O)2(NO3)2, NiL2(H2O)2(NO3)2. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215 |
| Assessment of protein function following cross-linking by alpha-dicarbonyls. | Annals of the New York Academy of Sciences 20050601 |
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