1,3-Propanediol, 2-ethyl-2-methyl-, carbamate, propylcarbamate
Basic information
- CAS
25384-69-4- Standard SMILES
CCCNC(=O)OCC(C)(CC)COC(N)=O- InChIKey
WZJMZKKLJRBDOL-UHFFFAOYSA-N- Molecular formula
- C11H22N2O4
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.15795719
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-methyl-, carbamate, propylcarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-methylbutyl] N-propylcarbamate
- English name
- 2-(Carbamoyloxymethyl)-2-methylbutyl=propylcarbamate
- Molecular formula
- C11H22N2O4
- Molecular weight
- 246.3
Names & synonyms
25384-69-41,3-Propanediol, 2-ethyl-2-methyl-, carbamate, propylcarbamateRefChem:10530502-Ethyl-2-methyl-1,3-propanediol carbamate propylcarbamate2-(Carbamoyloxymethyl)-2-methylbutyl=propylcarbamateCarbamic acid, propyl-, 2-(hydroxymethyl)-2-methylbutyl ester carbamate (ester) (8CI)
Database identifiers
- CAS
25384-69-4- PubChem CID
- 117192
- Nikkaji
- J50.823C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…