Name: Name:3-{[(1-methyl-1H-imidazol-5-yl)methyl]amino}benzoic acid
Brand: Angene
SKU: AG01B6CN
Rating: 90 (10 reviews)

3-{[(1-methyl-1H-imidazol-5-yl)methyl]amino}benzoic acid

CAS No.:

1496324-50-5

Catalog Number:

AG01B6CN

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG01B6CN

Chemical Name:

3-{[(1-methyl-1H-imidazol-5-yl)methyl]amino}benzoic acid

CAS Number:

1496324-50-5

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD22286135

IUPAC Name:

3-[(3-methylimidazol-4-yl)methylamino]benzoic acid

InChI:

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

InChI Key:

VHRFXCXGALPDKX-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)NCc1cncn1C

Complexity:

273

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