2-(Dioctylamino)ethanol
Basic information
- CAS
5345-94-8- Standard SMILES
CCCCCCCCN(CCO)CCCCCCCC- InChIKey
BIFHTUIYFKXCAU-UHFFFAOYSA-N- Molecular formula
- C18H39NO
- Average molar mass
- 285.5 g/mol
- Monoisotopic mass
- 285.30316487
Names & identifiers
- Preferred name
- 2-(Dioctylamino)ethanol
- IUPAC
- 2-(dioctylamino)ethanol
- English name
- 2-(Dioctylamino)ethanol
- Molecular formula
- C18H39NO
- Molecular weight
- 285.51
Names & synonyms
2-(DIOCTYLAMINO)ETHANOL5345-94-8DTXSID30277344RefChem:253868DTXCID202285022-(dioctylamino)ethan-1-oldioctylethanolamineNSC17682-(dioctylamino)-ethanolSCHEMBL381402(C8H17)2NCH2CH2OHBIFHTUIYFKXCAU-UHFFFAOYSA-N
Show more names
Ethanol, 2-(dioctylamino)-
NSC-1768AKOS024334004
Database identifiers
- CAS
5345-94-8- PubChem CID
- 219942
- DTXSID
DTXSID30277344- Nikkaji
- J2.200.831E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 136 · 136-139 °C(Press: 0.2 Torr)
- Density
- 0.864 · 0.864±0.06 g/cm3(Predicted)
- pka
- 14.78 · 14.78±0.10(Predicted)
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Related reactions
1 records
Compound notes
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