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87870-42-6 | Isoquinoline, 3-ethyl-1,2,3,4-tetrahydro-1-methyl-, hydrochloride
CAS No: 87870-42-6 Catalog No: AG008CG8 MDL No:
Product Description
Catalog Number:
AG008CG8
Chemical Name:
Isoquinoline, 3-ethyl-1,2,3,4-tetrahydro-1-methyl-, hydrochloride
CAS Number:
87870-42-6
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
IUPAC Name:
3-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-3-11-8-10-6-4-5-7-12(10)9(2)13-11;/h4-7,9,11,13H,3,8H2,1-2H3;1H
InChI Key:
FNLMOIUNJUDVLU-UHFFFAOYSA-N
SMILES:
CCC1NC(C)c2c(C1)cccc2.Cl
Properties
Complexity:
167
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:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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