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28731-40-0 | 1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 28731-40-0 Catalog No: AG01BDSJ MDL No:MFCD03825838
Product Description
Catalog Number:
AG01BDSJ
Chemical Name:
1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
28731-40-0
Molecular Formula:
C14H14N2
Molecular Weight:
210.2744
MDL Number:
MFCD03825838
IUPAC Name:
1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C14H14N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-6,8,10,14,16H,7,9H2
InChI Key:
PQUCZQQPRMLVLB-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)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:
1
Isotope Atom Count:
0
Molecular Weight:
210.28g/mol
Monoisotopic Mass:
210.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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