Basic information
- CAS
6298-78-8- Standard SMILES
CCCCCCCCCCCCCCCCNC(=O)OC(C)C- InChIKey
UMMCTIRBSNSOIX-UHFFFAOYSA-N- Molecular formula
- C20H41NO2
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.31372955
Names & identifiers
- Preferred name
- Propan-2-yl hexadecylcarbamate
- IUPAC
- propan-2-yl N-hexadecylcarbamate
- English name
- NSC42405
- Molecular formula
- C20H41NO2
- Molecular weight
- 327.55
Names & synonyms
propan-2-yl hexadecylcarbamate6298-78-8isopropyl hexadecylcarbamatepropan-2-yl N-hexadecylcarbamateCarbamic acid, hexadecyl-, isopropyl ester (8CI)NSC42405SCHEMBL27050907DTXSID50978866ISOPROPYL N-HEXADECYLCARBAMATENSC-42405Propan-2-yl hydrogen hexadecylcarbonimidateE85717
Show more names
propane-2-yldecahexalkaneylcarbamate
F828467
Database identifiers
- CAS
6298-78-8- PubChem CID
- 238166
- DTXSID
DTXSID50978866
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 359.1 · 359.1±10.0 °C(Predicted)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
- pka
- 13.05 · 13.05±0.46(Predicted)
Chemistry & industry
Suppliers2 total
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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