methyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

methyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

CAS: 91640-73-2

Formula: C12H15NO2

SMILES: COC(=O)CC1NCCC2=C1C=CC=C2

IUPAC: methyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

InChI: InChI=1/C12H15NO2/c1-15-12(14)8-11-10-5-3-2-4-9(10)6-7-13-11/h2-5,11,13H,6-8H2,1H3

Composition: C (70.22%), H (7.37%), N (6.82%), O (15.59%)

Molar Mass: 205.257

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	205.110278727
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZYKBDGYQTKXXTM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.84
Topological Polar Surface Area	38.33
Polarizability	22.86
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	91640-73-2		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43