Home Amines 1015846-01-1
1015846-01-1,MFCD08457373
Catalog No.:AA0004TE
1015846-01-1 | 1H-Pyrazol-5-amine, 1-[(4-chlorophenyl)methyl]-4-methyl-
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1g
95%
in stock  
$74.00   $52.00
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5g
95%
in stock  
$212.00   $148.00
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Technical Information
Catalog Number:
AA0004TE
Chemical Name:
1H-Pyrazol-5-amine, 1-[(4-chlorophenyl)methyl]-4-methyl-
CAS Number:
1015846-01-1
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
MDL Number:
MFCD08457373
IUPAC Name:
2-[(4-chlorophenyl)methyl]-4-methylpyrazol-3-amine
InChI:
InChI=1S/C11H12ClN3/c1-8-6-14-15(11(8)13)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3
InChI Key:
OAYIBJLYOMOQAD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1ncc(c1N)C
Properties
Computed Properties
 
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.688g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
1015846-01-1 
1-(4-CHLOROBENZYL)-4-METHYL-1H-PYRAZOL-5-AMINE 
1-[(4-Chlorophenyl)methyl]-4-methyl-1H-pyrazol-5-amine 
1H-Pyrazol-5-amine, 1-[(4-chlorophenyl)methyl]-4-methyl- 
2-(4-CHLORO-BENZYL)-4-METHYL-2H-PYRAZOL-3-YLAMINE 
CTK3J9956 
DTXSID60650929 
ZX-CM005194 
MFCD08457373 
ZINC19091176 
AKOS009271528 
AJ-71564 
Y-3912 
Literature
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