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1461715-59-2 | 4-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline dihydrochloride
CAS No: 1461715-59-2 Catalog No: AG01A62G MDL No:MFCD25371689
Product Description
Catalog Number:
AG01A62G
Chemical Name:
4-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline dihydrochloride
CAS Number:
1461715-59-2
Molecular Formula:
C14H16Cl2N2
Molecular Weight:
283.1962
MDL Number:
MFCD25371689
IUPAC Name:
4-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline;dihydrochloride
InChI:
InChI=1S/C14H14N2.2ClH/c1-2-4-13-12(3-1)9-16-10-14(13)11-5-7-15-8-6-11;;/h1-5,9-10,15H,6-8H2;2*1H
InChI Key:
PWJSECNCLAJAIT-UHFFFAOYSA-N
SMILES:
N1CCC(=CC1)c1cncc2c1cccc2.Cl.Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.196g/mol
Monoisotopic Mass:
282.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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