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methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

CAS: 212958-77-5

Formula: C11H14ClNO2

SMILES: Cl.COC(=O)C1NCCC2=CC=CC=C12

IUPAC: methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

InChI: InChI=1/C11H13NO2.ClH/c1-14-11(13)10-9-5-3-2-4-8(9)6-7-12-10;/h2-5,10,12H,6-7H2,1H3;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 2
Hydrogen Bond Donor Count 1
InChIKey DSWUNNVFNAJVCA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.21
Topological Polar Surface Area 38.33
Polarizability 21.01
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 212958-77-5 $143.75-$2,290.80$143.75$171.35$227.70$342.70$572.70$2,290.80
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