Basic information
- CAS
7504-68-9- Standard SMILES
CCCCOCN1COCN(COCCCC)C1=O- InChIKey
YOBPNEJRBSOFAJ-UHFFFAOYSA-N- Molecular formula
- C13H26N2O4
- Average molar mass
- 274.36 g/mol
- Monoisotopic mass
- 274.18925731
Names & identifiers
- Preferred name
- 3,5-bis(butoxymethyl)tetrahydro-4H-1,3,5-oxadiazin-4-one
- IUPAC
- 3,5-bis(butoxymethyl)-1,3,5-oxadiazinan-4-one
- English name
- 3,5-bis(butoxymethyl)tetrahydro-4H-1,3,5-oxadiazin-4-one
- Molecular formula
- C13H26N2O4
- Molecular weight
- 274.35654
Names & synonyms
7504-68-93,5-Bis(butoxymethyl)tetrahydro-4H-1,3,5-oxadiazin-4-oneEINECS 231-358-84H-1,3,5-Oxadiazin-4-one, 3,5-bis(butoxymethyl)tetrahydro-AI3-22304DTXSID60226007NSC 407880RefChem:91376DTXCID20148498231-358-83,5-bis(butoxymethyl)-1,3,5-oxadiazinan-4-oneNSC-407880
Show more names
3,5-Bis(butoxymethyl)-5,6-dihydro-2H-1,3,5-oxadiazin-4(3H)-one
NSC407880N,N'-Bis(butoxymethyl)uronYWA428A2C6SCHEMBL11651997YOBPNEJRBSOFAJ-UHFFFAOYSA-NNS00037677
Database identifiers
- CAS
7504-68-9- PubChem CID
- 82015
- DTXSID
DTXSID60226007- UNII
- YWA428A2C6
- EC Number
- 231-358-8
- Nikkaji
- J307.848E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- FDA UNII
- 428 A2C6 · YWA428A2C6
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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