Home Amines 1015845-54-1
1015845-54-1,MFCD08059756
Catalog No.:AA0004RI
1015845-54-1 | 1H-Pyrazole-4-methanamine, 1-(3-methoxyphenyl)-
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1g
95%
in stock  
$37.00   $26.00
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5g
95%
in stock  
$107.00   $75.00
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Technical Information
Catalog Number:
AA0004RI
Chemical Name:
1H-Pyrazole-4-methanamine, 1-(3-methoxyphenyl)-
CAS Number:
1015845-54-1
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD08059756
IUPAC Name:
[1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
InChI:
InChI=1S/C11H13N3O/c1-15-11-4-2-3-10(5-11)14-8-9(6-12)7-13-14/h2-5,7-8H,6,12H2,1H3
InChI Key:
KQJJFDIEMLIASM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1ncc(c1)CN
Properties
Computed Properties
 
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
1015845-54-1 
1-[1-(3-METHOXYPHENYL)-1H-PYRAZOL-4-YL]METHANAMINE 
AJ-70985 
AM20020085 
Y-3352 
1H-Pyrazole-4-methanamine, 1-(3-methoxyphenyl)- 
4003937-25G 
4003937-50G 
4003937-100G 
1-[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine, AldrichCPR 
[1-(3-methoxyphenyl)pyrazol-4-yl]methanamine 
(1-(3-methoxyphenyl)-1H-pyrazol-4-yl)methanamine 
CTK3J9924 
DTXSID60650808 
CHEMBRDG-BB 4003937 
ZX-CM002626 
MFCD08059756 
ZINC19088473 
AKOS006340586 
Literature
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