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15793-81-4 | (2-D)quinoline
CAS No: 15793-81-4 Catalog No: AG01EU9L MDL No:
Product Description
Catalog Number:
AG01EU9L
Chemical Name:
(2-D)quinoline
CAS Number:
15793-81-4
Molecular Formula:
C9H6DN
Molecular Weight:
130.1647
IUPAC Name:
2-deuterioquinoline
InChI:
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H/i7D
InChI Key:
SMWDFEZZVXVKRB-WHRKIXHSSA-N
SMILES:
c1([2H])ccc2c(n1)cccc2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1
Molecular Weight:
130.168g/mol
Monoisotopic Mass:
130.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Deuterium isotope effects on drug pharmacokinetics. I. System-dependent effects of specific deuteration with aldehyde oxidase cleared drugs. | Drug metabolism and disposition: the biological fate of chemicals 20120301 |
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