2-[(2-methylpropyl)amino]benzoic acid

2-[(2-methylpropyl)amino]benzoic acid

CAS: 169527-46-2

Formula: C11H15NO2

SMILES: CC(C)CNC1=C(C=CC=C1)C(O)=O

IUPAC: 2-[(2-methylpropyl)amino]benzoic acid

InChI: InChI=1S/C11H15NO2/c1-8(2)7-12-10-6-4-3-5-9(10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.110278727
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AUXAEDNEZJCEJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.25
Topological Polar Surface Area	49.33
Polarizability	21.16
Ring Count	1
Rotatable Bond Count	4

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95%	<4 Days	169527-46-2		$58.65-$232.30$58.65$232.30