1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, methylcarbamate
Basic information
- CAS
13973-72-3- Standard SMILES
CNC(=O)OCC(O)C1COc2ccccc2O1- InChIKey
FZSIVUZWRRJFSM-UHFFFAOYSA-N- Molecular formula
- C12H15NO5
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.09502258
Names & identifiers
- Preferred name
- 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, methylcarbamate
- IUPAC
- [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-methylcarbamate
- English name
- 1-(1,4-Benzodioxan-2-yl)-1,2-ethanediol 2-methylcarbamate
- Molecular formula
- C12H15NO5
- Molecular weight
- 253.25
Names & synonyms
13973-72-31,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, methylcarbamateRefChem:1052369Methylcarbamic acid 2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl esterSAS 523BRN 1293287Carbamic acid, methyl-, 2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl ester[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-methylcarbamate2-(1,4-Benzodiossan-2-il)-2-idrossietil-N-metil-1-carbammato [Italian]DTXSID809305732-(1,4-Benzodiossan-2-il)-2-idrossietil-N-metil-1-carbammato2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-2-hydroxyethyl hydrogen methylcarbonimidate
Show more names
SAS-5231-(1,4-Benzodioxan-2-yl)-1,2-ethanediol 2-methylcarbamate1,2-Ethanediol, 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-, 2-(N-methylcarbamate)
Database identifiers
- CAS
13973-72-3- PubChem CID
- 203129
- DTXSID
DTXSID80930573- Nikkaji
- J71.415A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 429.1 · 429.1±38.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- pka
- 12.6 · 12.60±0.46(Predicted)
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Related reactions
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Compound notes
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