Name: Name:4-{[(1-methylazetidin-3-yl)methyl]amino}benzoic acid
Brand: Angene
SKU: AG01B6CM
Rating: 90 (10 reviews)

4-{[(1-methylazetidin-3-yl)methyl]amino}benzoic acid

CAS No.:

1852937-97-3

Catalog Number:

AG01B6CM

Molecular Formula:

C12H16N2O2

Molecular Weight:

220.2676

Catalog Number:

AG01B6CM

Chemical Name:

4-{[(1-methylazetidin-3-yl)methyl]amino}benzoic acid

CAS Number:

1852937-97-3

Molecular Formula:

C12H16N2O2

Molecular Weight:

220.2676

MDL Number:

MFCD30344863

IUPAC Name:

4-[(1-methylazetidin-3-yl)methylamino]benzoic acid

InChI:

InChI=1S/C12H16N2O2/c1-14-7-9(8-14)6-13-11-4-2-10(3-5-11)12(15)16/h2-5,9,13H,6-8H2,1H3,(H,15,16)

InChI Key:

ZBSKTORDNKPNHF-UHFFFAOYSA-N

SMILES:

CN1CC(C1)CNc1ccc(cc1)C(=O)O

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.272g/mol

Monoisotopic Mass:

220.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8