(1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one (CAS 80986-21-6) — formula C5H8N2O, molecular weight 112.13; category organic chemicals.
| CAS Number | 80986-21-6 |
|---|---|
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.13 |
| LogP | -0.9 |
| Category | Organic Chemicals |
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one is a carbon-based organic compound with CAS registry number 80986-21-6 and molecular formula C5H8N2O (molecular weight 112.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80986-21-6
Its molecular formula C5H8N2O comprises 5 C, 8 H, 2 N, 1 O atoms.
Also known as: (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one · (1S,4S)-2,5-二氮杂双环[2.2.1]庚-3-酮
Category: organic chemicals
The CAS registry number of (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one is 80986-21-6.
Molecular formula C5H8N2O, molecular weight 112.13.
It is also registered under: (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one, (1S,4S)-2,5-二氮杂双环[2.2.1]庚-3-酮.
Category: Organic Chemicals.
Independent reference data for (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one (CAS 80986-21-6), compiled from public chemistry databases.
| CAS 号 | 80986-21-6 |
|---|---|
| PubChem CID | 12831721 |
| 分子式 | C5H8N2O |
| IUPAC 名称 | (1S,4S)-2,5-diazabicyclo[2.2.1]heptan-3-one |
| Molecular Weight | 112.13 |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.063662883 |
| Monoisotopic Mass | 112.063662883 |
| Topological Polar Surface Area | 41.1 |
| Heavy Atom Count | 8 |
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one; (1S,4S)-2,5-Diazabicyclo(2.2.1)heptan-3-one; RefChem:394181; 958-190-4; 80986-21-6; MFCD19687985; SCHEMBL11269671; DTXSID301267187; AKOS030254014; PS-17457; CS-0455963; F88327; 2,5-Diazabicyclo[2.2.1]heptan-3-one, (1S)-; SCHEMBL3069661; (1S,4S)-2,5-diazabicyclo[2 2 1]heptan-3-one
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
(1S,4S)-2,5-二氮杂双环[2.2.1]庚-3-酮 · CAS 80986-21-6 · C5H8N2O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.