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1096303-55-7 | 2-[(Cyclohexylmethyl)amino]isonicotinic acid
CAS No: 1096303-55-7 Catalog No: AG01FAJM MDL No:
Product Description
Catalog Number:
AG01FAJM
Chemical Name:
2-[(Cyclohexylmethyl)amino]isonicotinic acid
CAS Number:
1096303-55-7
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
2-(cyclohexylmethylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H18N2O2/c16-13(17)11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,14,15)(H,16,17)
InChI Key:
QYPYRWIEOXAEHX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)NCC1CCCCC1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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