4-{[(1-hydroxybutan-2-yl)amino]methyl}benzoic acid

4-{[(1-hydroxybutan-2-yl)amino]methyl}benzoic acid

Formula: C12H17NO3

SMILES: CCC(CO)NCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-{[(1-hydroxybutan-2-yl)amino]methyl}benzoic acid

InChI: InChI=1/C12H17NO3/c1-2-11(8-14)13-7-9-3-5-10(6-4-9)12(15)16/h3-6,11,13-14H,2,7-8H2,1H3,(H,15,16)

Composition: C (64.55%), H (7.67%), N (6.27%), O (21.50%)

Molar Mass: 223.272

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	223.120843411
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	BLEFIMUERLIVRN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.8
Topological Polar Surface Area	69.56
Polarizability	24
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H17NO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00