2-(1-aminoethyl)benzoic acid

2-(1-aminoethyl)benzoic acid

CAS: 68998-15-2

Formula: C9H11NO2

SMILES: CC(N)C1=CC=CC=C1C(O)=O

IUPAC: 2-(1-aminoethyl)benzoic acid

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

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	68998-15-2		$143.75-$2,290.80$143.75$171.35$227.70$343.85$572.70$2,290.80