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871798-83-3 | Isoquinoline,5,6,7,8-tetrahydro-1-(2-pyridinyl)-
CAS No: 871798-83-3 Catalog No: AG004SPL MDL No:
Product Description
Catalog Number:
AG004SPL
Chemical Name:
Isoquinoline,5,6,7,8-tetrahydro-1-(2-pyridinyl)-
CAS Number:
871798-83-3
Molecular Formula:
C14H14N2
Molecular Weight:
210.2744
IUPAC Name:
1-pyridin-2-yl-5,6,7,8-tetrahydroisoquinoline
InChI:
InChI=1S/C14H14N2/c1-2-6-12-11(5-1)8-10-16-14(12)13-7-3-4-9-15-13/h3-4,7-10H,1-2,5-6H2
InChI Key:
TXJSRHXPYVKTFK-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1nccc2c1CCCC2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.28g/mol
Monoisotopic Mass:
210.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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