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87870-04-0 | Isoquinoline, 1,2,3,4-tetrahydro-1,4-dimethyl-, hydrochloride
CAS No: 87870-04-0 Catalog No: AG008CGG MDL No:
Product Description
Catalog Number:
AG008CGG
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1,4-dimethyl-, hydrochloride
CAS Number:
87870-04-0
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
IUPAC Name:
1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C11H15N.ClH/c1-8-7-12-9(2)11-6-4-3-5-10(8)11;/h3-6,8-9,12H,7H2,1-2H3;1H
InChI Key:
QCXBRTUKSBQLQQ-UHFFFAOYSA-N
SMILES:
CC1NCC(c2c1cccc2)C.Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.706g/mol
Monoisotopic Mass:
197.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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