Basic information
- CAS
329922-46-5- Standard SMILES
Nc1nonc1C(=O)N1CCCCC1- InChIKey
XYHTWIYVANKCPM-UHFFFAOYSA-N- Molecular formula
- C8H12N4O2
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 196.09602564
Names & identifiers
- Preferred name
- (4-Amino-1,2,5-oxadiazol-3-yl)(piperidin-1-yl)methanone
- IUPAC
- (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone
- English name
- (4-AMINO-FURAZAN-3-YL)-PIPERIDIN-1-YL-METHANONE
- Molecular formula
- C8H12N4O2
- Molecular weight
- 196.21
Names & synonyms
329922-46-5(4-amino-1,2,5-oxadiazol-3-yl)(piperidin-1-yl)methanone(4-Amino-furazan-3-yl)-piperidin-1-yl-methanone4-(piperidine-1-carbonyl)-1,2,5-oxadiazol-3-amine(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanoneMFCD004756704-amino(1,2,5-oxadiazol-3-yl) piperidyl ketoneTimTec1_000377Oprea1_151828Oprea1_547098MLS000765924(4-Amino-1,2,5-oxadiazol-3-yl)(piperidino)methanone
Show more names
TIMTEC-BB SBB0003534-(piperidin-1-ylcarbonyl)-1,2,5-oxadiazol-3-amine4-(1-Piperidinylcarbonyl)-1,2,5-oxadiazol-3-ylamineMethanone, (4-amino-1,2,5-oxadiazol-3-yl)-1-piperidinyl-
CHEMBL1893569XYHTWIYVANKCPM-UHFFFAOYSA-NDTXSID501329484HMS1535B03HMS2688K21ENA92246SBB000353STK150414
Database identifiers
- CAS
329922-46-5- PubChem CID
- 535637
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
Solubility28.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 403.2 · 403.2±55.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- -0.11 · -0.11±0.47(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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