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28466-69-5

28466-69-5 | 1H-Pyrazol-4-amine, 3,5-dimethyl-1-(phenylmethyl)-

CAS No: 28466-69-5 Catalog No: AG002VD0 MDL No:MFCD01693691

Product Description

Catalog Number:
AG002VD0
Chemical Name:
1H-Pyrazol-4-amine, 3,5-dimethyl-1-(phenylmethyl)-
CAS Number:
28466-69-5
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD01693691
IUPAC Name:
1-benzyl-3,5-dimethylpyrazol-4-amine
InChI:
InChI=1S/C12H15N3/c1-9-12(13)10(2)15(14-9)8-11-6-4-3-5-7-11/h3-7H,8,13H2,1-2H3
InChI Key:
VEEPGIBHWRABJA-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1N)C)Cc1ccccc1

Properties

Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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