Home Aminos 2-(Benzylamino)isonicotinic acid

2-(Benzylamino)isonicotinic acid

CAS No.:
1019372-91-8
Catalog Number:
AG009KVA
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
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Product Description
Catalog Number:
AG009KVA
Chemical Name:
2-(Benzylamino)isonicotinic acid
CAS Number:
1019372-91-8
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD11132066
IUPAC Name:
2-(benzylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)(H,16,17)
InChI Key:
RIWNMKBVGSKNLC-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:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties