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1020719-00-9 | 3-Pyridine-2,4,5,6-d4-methanamine
CAS No: 1020719-00-9 Catalog No: AG0006IN MDL No:
Product Description
Catalog Number:
AG0006IN
Chemical Name:
3-Pyridine-2,4,5,6-d4-methanamine
CAS Number:
1020719-00-9
Molecular Formula:
C6H4D4N2
Molecular Weight:
112.1658
IUPAC Name:
(2,4,5,6-tetradeuteriopyridin-3-yl)methanamine
InChI:
InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2/i1D,2D,3D,5D
InChI Key:
HDOUGSFASVGDCS-RZIJKAHPSA-N
SMILES:
NCc1c([2H])nc(c(c1[2H])[2H])[2H]
Properties
Complexity:
63.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
112.168g/mol
Monoisotopic Mass:
112.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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