Basic information
- CAS
25384-54-7- Standard SMILES
CCCCC(CC)(CO)COC(=O)NCCC- InChIKey
CZDCKVIHZSVWLE-UHFFFAOYSA-N- Molecular formula
- C13H27NO3
- Average molar mass
- 245.36 g/mol
- Monoisotopic mass
- 245.19909372
Names & identifiers
- Preferred name
- 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate
- IUPAC
- [2-ethyl-2-(hydroxymethyl)hexyl] N-propylcarbamate
Names & synonyms
25384-54-7DTXSID209482332-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidateRefChem:1063017DTXCID4013764702-ethyl-2-(hydroxymethyl)hexyl propylcarbamatePropylcarbamic acid 2-ethyl-2-(hydroxymethyl)hexyl ester[2-ethyl-2-(hydroxymethyl)hexyl] N-propylcarbamateCarbamic acid, propyl-, 2-ethyl-2-(hydroxymethyl)hexyl ester
Database identifiers
- CAS
25384-54-7- PubChem CID
- 212907
- DTXSID
DTXSID20948233
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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