Name: Name:4-(((Pyridin-3-ylmethyl)amino)methyl)benzoic acid
Brand: Angene
SKU: AG00W8L1
Rating: 90 (10 reviews)

4-(((Pyridin-3-ylmethyl)amino)methyl)benzoic acid

CAS No.:

440646-94-6

Catalog Number:

AG00W8L1

Molecular Formula:

C14H14N2O2

Molecular Weight:

242.2732

Catalog Number:

AG00W8L1

Chemical Name:

4-(((Pyridin-3-ylmethyl)amino)methyl)benzoic acid

CAS Number:

440646-94-6

Molecular Formula:

C14H14N2O2

Molecular Weight:

242.2732

MDL Number:

MFCD03019309

IUPAC Name:

4-[(pyridin-3-ylmethylamino)methyl]benzoic acid

InChI:

InChI=1S/C14H14N2O2/c17-14(18)13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12/h1-7,9,16H,8,10H2,(H,17,18)

InChI Key:

RLINVKZPZFSCCE-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)CNCc1cccnc1

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.278g/mol

Monoisotopic Mass:

242.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9