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

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

CAS: 1260637-11-3

Formula: C11H14ClNO2

SMILES: Cl.CC1=CC=C2C(NCCC2=C1)C(O)=O

IUPAC: 6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride

InChI: InChI=1/C11H13NO2.ClH/c1-7-2-3-9-8(6-7)4-5-12-10(9)11(13)14;/h2-3,6,10,12H,4-5H2,1H3,(H,13,14);1H

Composition: C (58.03%), H (6.20%), Cl (15.57%), N (6.15%), O (14.05%)

Molar Mass: 227.69

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 227.0713064
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NTOXCWOIHHEXER-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.49
Topological Polar Surface Area 49.33
Polarizability 20.68
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1260637-11-3 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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