1,2,3,4-tetrahydroisoquinolin-1-ylacetic acid

1,2,3,4-tetrahydroisoquinolin-1-ylacetic acid

CAS: 105400-81-5

Formula: C11H13NO2

SMILES: OC(=O)CC1NCCC2=CC=CC=C12

IUPAC: 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid

InChI: InChI=1/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14)

Composition: C (69.09%), H (6.85%), N (7.32%), O (16.73%)

Molar Mass: 191.23

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	191.094628663
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BUAVPRGEIAVFBF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.07
Topological Polar Surface Area	49.33
Polarizability	20.76
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	105400-81-5		$196.35-$1,924.23$196.35$521.73$1,924.23