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1020719-68-9,MFCD07369613
Catalog No.:AA0006HK
1020719-68-9 | Pyridine-2,3,4,6-d4, 5-(1-nitroso-2-piperidinyl)-
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Technical Information
Catalog Number:
AA0006HK
Chemical Name:
Pyridine-2,3,4,6-d4, 5-(1-nitroso-2-piperidinyl)-
CAS Number:
1020719-68-9
Molecular Formula:
C10H9D4N3O
Molecular Weight:
195.2544
MDL Number:
MFCD07369613
IUPAC Name:
2,3,4,6-tetradeuterio-5-(1-nitrosopiperidin-2-yl)pyridine
InChI:
InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/i3D,4D,6D,8D
InChI Key:
BXYPVKMROLGXJI-AJEVBKBKSA-N
SMILES:
O=NN1CCCCC1c1c([2H])nc(c(c1[2H])[2H])[2H]
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
195.258g/mol
Monoisotopic Mass:
195.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
(R,S)-N-Nitrosoanabasine-d4 
1020719-68-9 
J-000609 
(R,S)-N-Nitroso Anabasine D4 
CS-T-59611 
2,3,4,6-tetradeuterio-5-(1-nitrosopiperidin-2-yl)pyridine 
NAB-d4 
3-(1-Nitrosopiperidin-2-yl)(~2~H_4_)pyridine 
(R,S)-N-Nitroso Anabasine-d4 
CTK8F2076 
DTXSID30662150 
AKOS030246228 
FT-0672938 
5-(1-Nitroso-2-piperidinyl)pyridine-2,3,4,6-d4 
Literature
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