86270-92-0
Product Name:
NNK-d3, 4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanone
Formula:
C10H10D3N3O2
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SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H301:Acute toxicity,oral H317:Sensitisation, Skin |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
Molecular Weight | 210.25 g/mol |
---|---|
XLogP3 | 0.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 210.119606904 g/mol |
Monoisotopic Mass | 210.119606904 g/mol |
Topological Polar Surface Area | 62.6 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 221 |
Isotope Atom Count | 3 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |