3-methyl-4-(methylamino)benzoic acid

3-methyl-4-(methylamino)benzoic acid

CAS: 153304-74-6

Formula: C9H11NO2

SMILES: CNC1=CC=C(C=C1C)C(O)=O

IUPAC: 3-methyl-4-(methylamino)benzoic acid

InChI: InChI=1S/C9H11NO2/c1-6-5-7(9(11)12)3-4-8(6)10-2/h3-5,10H,1-2H3,(H,11,12)

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DGLLZNHDQKJWNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.55
Topological Polar Surface Area	49.33
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	2

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	153304-74-6		$631.35-$4,597.70$631.35$1,147.70$4,597.70