Name: Name:Benzoic acid, 4-[[(1-methyl-1H-imidazol-2-yl)methyl]amino]-
Brand: Angene
SKU: AG004PFO
Rating: 90 (10 reviews)

Benzoic acid, 4-[[(1-methyl-1H-imidazol-2-yl)methyl]amino]-

CAS No.:

860344-02-1

Catalog Number:

AG004PFO

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG004PFO

Chemical Name:

Benzoic acid, 4-[[(1-methyl-1H-imidazol-2-yl)methyl]amino]-

CAS Number:

860344-02-1

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD17971573

IUPAC Name:

4-[(1-methylimidazol-2-yl)methylamino]benzoic acid

InChI:

InChI=1S/C12H13N3O2/c1-15-7-6-13-11(15)8-14-10-4-2-9(3-5-10)12(16)17/h2-7,14H,8H2,1H3,(H,16,17)

InChI Key:

ZQGSZOJGSFKTSS-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)NCc1nccn1C

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.255g/mol

Monoisotopic Mass:

231.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1