Home Amines 1019461-50-7
1019461-50-7,MFCD11106740
Catalog No.:AA0005Y3
1019461-50-7 | 3-Pyridinecarboxylic acid, 2-[(2-methylpropyl)amino]-
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500mg
2 weeks  
$202.00   $142.00
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Technical Information
Catalog Number:
AA0005Y3
Chemical Name:
3-Pyridinecarboxylic acid, 2-[(2-methylpropyl)amino]-
CAS Number:
1019461-50-7
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD11106740
IUPAC Name:
2-(2-methylpropylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H14N2O2/c1-7(2)6-12-9-8(10(13)14)4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,11,12)(H,13,14)
InChI Key:
FGTRGMFIJRDUIB-UHFFFAOYSA-N
SMILES:
CC(CNc1ncccc1C(=O)O)C
Properties
Computed Properties
 
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
2-(ISOBUTYLAMINO)NICOTINIC ACID 
1019461-50-7 
AKOS000214594 
BC641753 
DB-002458 
TR-069686 
FT-0704404 
C10H14N2O2 
2-[(2-methylpropyl)amino]pyridine-3-carboxylic acid 
2-isobutylamino-nicotinic acid 
SCHEMBL18691447 
CTK6A8686 
DTXSID10651289 
0521AA 
ANW-71851 
ZINC19770004 
Literature
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