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14099-81-1 | Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS No: 14099-81-1 Catalog No: AG001FOV MDL No:MFCD00012740
Product Description
Catalog Number:
AG001FOV
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS Number:
14099-81-1
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
MDL Number:
MFCD00012740
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
InChI Key:
MGFREDWKELGWML-UHFFFAOYSA-N
SMILES:
N1CCc2c(C1)cccc2.Cl
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.652g/mol
Monoisotopic Mass:
169.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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