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7-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

7-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

CAS: 1745-05-7

Formula: C10H14ClNO

SMILES: Cl.COC1=CC=C2CCNCC2=C1

IUPAC: 7-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

InChI: InChI=1S/C10H13NO.ClH/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H

Composition: C (60.15%), H (7.07%), Cl (17.75%), N (7.01%), O (8.01%)

Molar Mass: 199.68

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.0763918
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RKDJBXYFUGOJRU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.08
Topological Polar Surface Area 21.26
Polarizability 19.09
Ring Count 2
Rotatable Bond Count 1

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