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1185550-19-9

1185550-19-9 | 3,5-DIMETHYL-1-(3-METHYL-BENZYL)-1H-PYRAZOL-4-YLAMINE

CAS No: 1185550-19-9 Catalog No: AG008RZ9 MDL No:MFCD04967275

Product Description

Catalog Number:
AG008RZ9
Chemical Name:
3,5-DIMETHYL-1-(3-METHYL-BENZYL)-1H-PYRAZOL-4-YLAMINE
CAS Number:
1185550-19-9
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD04967275
IUPAC Name:
3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
InChI:
InChI=1S/C13H17N3.ClH/c1-9-5-4-6-12(7-9)8-16-11(3)13(14)10(2)15-16;/h4-7H,8,14H2,1-3H3;1H
InChI Key:
XUGZWSGNYZIQKI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Cn1nc(c(c1C)N)C

Properties

Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.119g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.758g/mol
Monoisotopic Mass:
251.119g/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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