4-(Acetoxymethyl)nitrosamino-1-(3-pyridyl)-1-butanone (CAS 127686-49-1) — formula C12H15N3O4, molecular weight 265.26; category organic chemicals.
| CAS Number | 127686-49-1 |
|---|---|
| Molecular Formula | C12H15N3O4 |
| Molecular Weight | 265.26 |
| LogP | 0.8 |
| Category | Organic Chemicals |
4-(Acetoxymethyl)nitrosamino-1-(3-pyridyl)-1-butanone is a carbon-based organic compound with CAS registry number 127686-49-1 and molecular formula C12H15N3O4 (molecular weight 265.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 127686-49-1
Its molecular formula C12H15N3O4 comprises 12 C, 15 H, 3 N, 4 O atoms.
Also known as: 4-(Acetoxymethyl)nitrosamino-1-(3-pyridyl)-1-butanone · 4-(乙酰氧基甲基)亚硝氨基-1-(3-吡啶基)-1-丁酮
Category: organic chemicals
The CAS registry number of 4-(Acetoxymethyl)nitrosamino-1-(3-pyridyl)-1-butanone is 127686-49-1.
Molecular formula C12H15N3O4, molecular weight 265.26.
It is also registered under: 4-(Acetoxymethyl)nitrosamino-1-(3-pyridyl)-1-butanone, 4-(乙酰氧基甲基)亚硝氨基-1-(3-吡啶基)-1-丁酮.
Category: Organic Chemicals.
Independent reference data for 4-(Acetoxymethyl)nitrosamino-1-(3-pyridyl)-1-butanone (CAS 127686-49-1), compiled from public chemistry databases.
| CAS Registry Number | 127686-49-1 |
|---|---|
| PubChem CID | 119598 |
| Molecular formula | C12H15N3O4 |
| IUPAC name | [nitroso-(4-oxo-4-pyridin-3-ylbutyl)amino]methyl acetate |
| Molecular Weight | 265.26 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 265.10625597 |
| Monoisotopic Mass | 265.10625597 |
| Topological Polar Surface Area | 88.9 |
| Heavy Atom Count | 19 |
127686-49-1; 4-(Acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanone; DTXSID20155627; NNKOAc; 4-[(ACETOXYMETHYL)NITROSAMINO]-1-(3-PYRIDYL)-1-BUTANONE; 4-((Acetoxymethyl)nitrosamino)-1-(3-pyridyl)-1-butanone; RefChem:911996; DTXCID0078118; 4-(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone; [nitroso-(4-oxo-4-pyridin-3-ylbutyl)amino]methyl acetate; {nitroso[4-oxo-4-(pyridin-3-yl)butyl]amino}methyl acetate; 4-(Acetoxymethylnitrosoamino)-1-(3-pyridyl)-1-butanone; 4-((Acetoxymethy)nitrosamino)-1-(3-pyridyl)-1-butanone; 4-(((Acetyloxy)methyl)nitrosoamino)-1-(3-pyridinyl)-1-butanone; 1-Butanone, 4-(((acetyloxy)methyl)nitrosoamino)-1-(3-pyridinyl)-; 1-Butanone, 4-[[(acetyloxy)methyl]nitrosoamino]-1-(3-pyridinyl)-
4-(Acetoxymethyl)nitrosamino-1-(3-pyridyl)-1-butanone · CAS 127686-49-1 · C12H15N3O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.