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20390-40-3 | Isoquinoline, 3-ethyl-3,4-dihydro-3-methyl-1-(4-pyridinyl)-, hydrochloride (1:2)
CAS No: 20390-40-3 Catalog No: AG002975 MDL No:
Product Description
Catalog Number:
AG002975
Chemical Name:
Isoquinoline, 3-ethyl-3,4-dihydro-3-methyl-1-(4-pyridinyl)-, hydrochloride (1:2)
CAS Number:
20390-40-3
Molecular Formula:
C17H20Cl2N2
Molecular Weight:
323.2601
IUPAC Name:
3-ethyl-3-methyl-1-pyridin-4-yl-4H-isoquinoline;dihydrochloride
InChI:
InChI=1S/C17H18N2.2ClH/c1-3-17(2)12-14-6-4-5-7-15(14)16(19-17)13-8-10-18-11-9-13;;/h4-11H,3,12H2,1-2H3;2*1H
InChI Key:
WTKGREQAWKBZCU-UHFFFAOYSA-N
SMILES:
CCC1(C)Cc2ccccc2C(=N1)c1ccncc1.Cl.Cl
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.261g/mol
Monoisotopic Mass:
322.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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