Home Other Building Blocks 2-[(4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-pyrazol-3-imine hydrochloride

2-[(4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-pyrazol-3-imine hydrochloride

CAS No.:
1355602-25-3
Catalog Number:
AG01AKS8
Molecular Formula:
C12H16ClN3O
Molecular Weight:
253.7279
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Product Description
Catalog Number:
AG01AKS8
Chemical Name:
2-[(4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-pyrazol-3-imine hydrochloride
CAS Number:
1355602-25-3
Molecular Formula:
C12H16ClN3O
Molecular Weight:
253.7279
MDL Number:
MFCD28155363
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine;hydrochloride
InChI:
InChI=1S/C12H15N3O.ClH/c1-9-7-12(13)15(14-9)8-10-3-5-11(16-2)6-4-10;/h3-7H,8,13H2,1-2H3;1H
InChI Key:
WQNQCGONNLDEFG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1[nH]c(cc1=N)C.Cl
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.73g/mol
Monoisotopic Mass:
253.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties