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87870-05-1 | Isoquinoline, 1,2,3,4-tetrahydro-1,4,6-trimethyl-, hydrochloride
CAS No: 87870-05-1 Catalog No: AG004G56 MDL No:
Product Description
Catalog Number:
AG004G56
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1,4,6-trimethyl-, hydrochloride
CAS Number:
87870-05-1
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
IUPAC Name:
1,4,6-trimethyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-8-4-5-11-10(3)13-7-9(2)12(11)6-8;/h4-6,9-10,13H,7H2,1-3H3;1H
InChI Key:
GPMDGLGRRVXSKN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(C)CNC2C.Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/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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