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1020719-11-2,MFCD04039401
Catalog No.:AA0006FS
1020719-11-2 | 2,3'-Bipyridine-2',4',5',6'-d4, 1,2,3,6-tetrahydro-
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Technical Information
Catalog Number:
AA0006FS
Chemical Name:
2,3'-Bipyridine-2',4',5',6'-d4, 1,2,3,6-tetrahydro-
CAS Number:
1020719-11-2
Molecular Formula:
C10H8D4N2
Molecular Weight:
164.2403
MDL Number:
MFCD04039401
IUPAC Name:
2,3,4,6-tetradeuterio-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
InChI:
InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/i3D,4D,6D,8D
InChI Key:
SOPPBXUYQGUQHE-AJEVBKBKSA-N
SMILES:
c1([2H])nc([2H])c(c(c1C1NCC=CC1)[2H])[2H]
Properties
Computed Properties
 
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.125g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
4  
Molecular Weight:
164.244g/mol
Monoisotopic Mass:
164.125g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
(R,S)-Anatabine-2,4,5,6-d4 
1020719-11-2 
J-000576 
(R,S)-Anatabine-2,4,5,6-d4Also See A637502 
(+/-)-1,2,3,6-Tetrahydro-2,3'-bipyridine-d4 (Major) 
2,3'-Bipyridine-2',4',5',6'-d4, 1,2,3,6-tetrahydro- 
(2',4',5',6'-~2~H_4_)-1,2,3,6-Tetrahydro-2,3'-bipyridine 
SOPPBXUYQGUQHE-AJEVBKBKSA-N 
CS-T-48198 
2,3,4,6-tetradeuterio-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine 
(+/-)-Anatabine-d4 
Also See A637502" 
CTK8F2069 
(+/-)-Anatabine-d4 (Major) 
DTXSID40661790 
(R,S)-Anatabine-2,4,5,6-d4 (Major) 
FT-0662156 
(+/-)-1,2,3,6-Tetrahydro-2,3'-bipyridine-d4 
Literature
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