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1020719-69-0,MFCD07369614
Catalog No.:AA0006HJ
1020719-69-0 | 2,3'-Bipyridine-2',4',5',6'-d4, 1,2,3,6-tetrahydro-1-nitroso-
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Technical Information
Catalog Number:
AA0006HJ
Chemical Name:
2,3'-Bipyridine-2',4',5',6'-d4, 1,2,3,6-tetrahydro-1-nitroso-
CAS Number:
1020719-69-0
Molecular Formula:
C10H7D4N3O
Molecular Weight:
193.2385
MDL Number:
MFCD07369614
IUPAC Name:
2,3,4,6-tetradeuterio-5-(1-nitroso-3,6-dihydro-2H-pyridin-2-yl)pyridine
InChI:
InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/i3D,4D,6D,8D
InChI Key:
ZJOFAFWTOKDIFH-AJEVBKBKSA-N
SMILES:
O=NN1CC=CCC1c1c([2H])nc(c(c1[2H])[2H])[2H]
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
193.242g/mol
Monoisotopic Mass:
193.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1020719-69-0 
(R,S)-N-Nitrosoanatabine-2,4,5,6-d4 
(R,S)-N-Nitroso Anatabine-2,4,5,6-d4 Also See N524753 
1,2,3,6-Tetrahydro-1-nitroso-2,3'-bipyridine-2',4',5',6'-d4 
1,2,3,6-Tetrahydro-1-nitroso-2,3'-bipyridine-2',4',5',6'-d4 (Major) 
1-Nitroso(2',4',5',6'-~2~H_4_)-1,2,3,6-tetrahydro-2,3'-bipyridine 
2,3'-Bipyridine-2',4',5',6'-d4, 1,2,3,6-tetrahydro-1-nitroso- 
ZJOFAFWTOKDIFH-AJEVBKBKSA-N 
CS-T-59614 
(R,S)-N-Nitroso Anatabine-2,4,5,6-d4 
NAT-d4 (Major) 
NAT-d4 
CTK8F2078 
DTXSID90662151 
AKOS030246229 
FT-0672940 
(R,S)-N-Nitroso Anatabine-2,4,5,6-d4 (Major) 
J-000610 
Literature
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