4-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)benzoic acid

4-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)benzoic acid

Formula: C17H19NO4

SMILES: COC1=CC=CC(CNCC2=CC=C(C=C2)C(O)=O)=C1OC

IUPAC: 4-({[(2,3-dimethoxyphenyl)methyl]amino}methyl)benzoic acid

InChI: InChI=1S/C17H19NO4/c1-21-15-5-3-4-14(16(15)22-2)11-18-10-12-6-8-13(9-7-12)17(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20)

Composition: C (67.76%), H (6.36%), N (4.65%), O (21.24%)

Molar Mass: 301.342

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.131408096
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	RSTHXXTUKPMZPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.1
Topological Polar Surface Area	67.79
Polarizability	32.49
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00