Basic information
- CAS
211449-23-9- Standard SMILES
CCN(CC)C(=O)Oc1ccc2c(c1)OCO2- InChIKey
OXIRYBRXTAVGBA-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 2H-1,3-benzodioxol-5-yl N,N-diethylcarbamate
- IUPAC
- 1,3-benzodioxol-5-yl N,N-diethylcarbamate
- English name
- 1,3-Benzodioxol-5-yl N,N-diethylcarbamate
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
211449-23-92H-1,3-benzodioxol-5-yl N,N-diethylcarbamate1,3-benzodioxol-5-yl N,N-diethylcarbamateSCHEMBL7686111DTXSID701269630HS-39312H-1,3-Benzodioxol-5-yl diethylcarbamateCarbamic acid, N,N-diethyl-, 1,3-benzodioxol-5-yl ester
Database identifiers
- CAS
211449-23-9- PubChem CID
- 18315917
- DTXSID
DTXSID701269630- Nikkaji
- J2.801.620D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 335.1 · 335.1±42.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- -1.49 · -1.49±0.70(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
2 records
Compound notes
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