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1019461-35-8

1019461-35-8 | 4-Pyridinecarboxylic acid, 2-(cyclohexylamino)-

CAS No: 1019461-35-8 Catalog No: AG00060W MDL No:MFCD11131952

Product Description

Catalog Number:
AG00060W
Chemical Name:
4-Pyridinecarboxylic acid, 2-(cyclohexylamino)-
CAS Number:
1019461-35-8
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD11131952
IUPAC Name:
2-(cyclohexylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C12H16N2O2/c15-12(16)9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,13,14)(H,15,16)
InChI Key:
KEWFMSFLBGLGAE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)NC1CCCCC1

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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