Basic information
- CAS
25451-37-0- Standard SMILES
CCOC(CC)(COC(N)=O)COC(N)=O- InChIKey
PEKWXHQFRRGPTK-UHFFFAOYSA-N- Molecular formula
- C9H18N2O5
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.12157168
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-ethoxybutyl] carbamate
Names & synonyms
1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate25451-37-0RefChem:1053034BRN 29740032-Ethoxy-2-ethyl-1,3-propanediol dicarbamate
Database identifiers
- CAS
25451-37-0- PubChem CID
- 213005
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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