2-[(1S)-1-aminoethyl]benzoic acid

2-[(1S)-1-aminoethyl]benzoic acid

CAS: 1187930-32-0

Formula: C9H11NO2

SMILES: C[C@H](N)C1=CC=CC=C1C(O)=O

IUPAC: 2-[(1S)-1-aminoethyl]benzoic acid

InChI: InChI=1S/C9H11NO2/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-6H,10H2,1H3,(H,11,12)/t6-/m0/s1

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	1
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	KYZTUNCFUQURFU-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.21
Topological Polar Surface Area	63.32
Polarizability	17.86
Ring Count	1
Rotatable Bond Count	2

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1187930-32-0		$327.75-$6,762.00$327.75$540.50$966.00$1,817.00$6,762.00