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87870-23-3 | Isoquinoline, 3,4-dihydro-4-methyl-1-(4-pyridinyl)-
CAS No: 87870-23-3 Catalog No: AG004G50 MDL No:
Product Description
Catalog Number:
AG004G50
Chemical Name:
Isoquinoline, 3,4-dihydro-4-methyl-1-(4-pyridinyl)-
CAS Number:
87870-23-3
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
IUPAC Name:
4-methyl-1-pyridin-4-yl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C15H14N2/c1-11-10-17-15(12-6-8-16-9-7-12)14-5-3-2-4-13(11)14/h2-9,11H,10H2,1H3
InChI Key:
SBLRJKQEJDVVSH-UHFFFAOYSA-N
SMILES:
CC1CN=C(c2c1cccc2)c1ccncc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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