1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate
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Basic information
- CAS
25385-17-5- Standard SMILES
CCCNC(=O)OCC(CC)(CC)COC(N)=O- InChIKey
ATJFNCBLTADTPP-UHFFFAOYSA-N- Molecular formula
- C12H24N2O4
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.17360725
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-ethylbutyl] N-propylcarbamate
- English name
- N-Propylcarbamic acid 2-(carbamoyloxymethyl)-2-ethylbutyl ester
- Molecular formula
- C12H24N2O4
- Molecular weight
- 260.33
Names & synonyms
25385-17-51,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamateRefChem:1052998BRN 30523882,2-Diethyl-1,3-propanediol carbamate propylcarbamateN-Propylcarbamic acid 2-(carbamoyloxymethyl)-2-ethylbutyl esterCarbamic acid, propyl-, 2-ethyl-2-(hydroxymethyl)butyl ester carbamate (ester) (8CI)
Database identifiers
- CAS
25385-17-5- PubChem CID
- 117465
- Nikkaji
- J50.800D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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