Dodecyl carbamate
Basic information
- CAS
6320-52-1- Standard SMILES
CCCCCCCCCCCCOC(N)=O- InChIKey
CNRDTAOOANTPCG-UHFFFAOYSA-N- Molecular formula
- C13H27NO2
- Average molar mass
- 229.36 g/mol
- Monoisotopic mass
- 229.2041791
Names & identifiers
- Preferred name
- Dodecyl carbamate
- IUPAC
- dodecyl carbamate
- English name
- DODECYL CARBAMATE
- Molecular formula
- C13H27NO2
- Molecular weight
- 229.36
Names & synonyms
dodecyl carbamate6320-52-1n-dodecyl carbamateNSC31209SCHEMBL43998SCHEMBL3841390DTXSID20283398CNRDTAOOANTPCG-UHFFFAOYSA-NNSC 31209NSC-31209Carbamic acid, dodecyl ester
Database identifiers
- CAS
6320-52-1- PubChem CID
- 233116
- DTXSID
DTXSID20283398- Nikkaji
- J2.090.554I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 190 · 190-200 °C(Press: 20 Torr)
- Density
- 0.916 · 0.916±0.06 g/cm3(Predicted)
- pka
- 13.52 · 13.52±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…