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1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid hydrochloride

1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid hydrochloride

CAS: 1841081-68-2

Formula: C10H12ClNO2

SMILES: Cl.OC(=O)C1CNCC2=CC=CC=C12

IUPAC: 1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid hydrochloride

InChI: InChI=1/C10H11NO2.ClH/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9;/h1-4,9,11H,5-6H2,(H,12,13);1H

Composition: C (56.22%), H (5.66%), Cl (16.59%), N (6.56%), O (14.98%)

Molar Mass: 213.66

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 213.0556563
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QGEPUXKEOGYFMZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.7
Topological Polar Surface Area 49.33
Polarizability 18.99
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1841081-68-2 $134.55-$1,828.50$134.55$157.55$201.25$286.35$457.70$1,828.50
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