1,3-Propanediol, 2-butyl-2-methyl-, allylcarbamate, carbamate
Basic information
- CAS
22131-28-8- Standard SMILES
C=CCNC(=O)OCC(C)(CCCC)COC(N)=O- InChIKey
ATCGDUNXIDLZOF-UHFFFAOYSA-N- Molecular formula
- C13H24N2O4
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.17360725
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-butyl-2-methyl-, allylcarbamate, carbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-methylhexyl] N-prop-2-enylcarbamate
Names & synonyms
22131-28-81,3-Propanediol, 2-butyl-2-methyl-, allylcarbamate, carbamateRefChem:10530232-Butyl-2-methyl-1,3-propanediol allylcarbamate carbamateBRN 3055221DTXSID701384824
Database identifiers
- CAS
22131-28-8- PubChem CID
- 90735
- DTXSID
DTXSID701384824- Nikkaji
- J90.877K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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