Basic information
- CAS
16613-87-9- Standard SMILES
CCCCCCCCCCCCNCCO- InChIKey
HCYSJBICYOIBLS-UHFFFAOYSA-N- Molecular formula
- C14H31NO
- Average molar mass
- 229.4 g/mol
- Monoisotopic mass
- 229.24056461
Names & identifiers
- Preferred name
- 2-(Dodecylamino)ethanol
- IUPAC
- 2-(dodecylamino)ethanol
- English name
- 2-(dodecylamino)ethanol
- Molecular formula
- C14H31NO
- Molecular weight
- 229.4
Names & synonyms
2-(Dodecylamino)ethanol16613-87-9Ethanol, 2-(dodecylamino)-dodecylethanolamine2-(dodecylamino)ethan-1-ol2-[Dodecylamino]ethanolEINECS 240-663-5N-dodecyl-amino ethanol2-(N-dodecylamino)ethanolSCHEMBL23139CHEMBL119327DTXSID50877663
Show more names
dodecaneylethanolamineN-(2-Hydroxyethyl)-laurylamine
N-dodecyl-N-(2-hydroxyethyl)amineMFCD03551891SBB059781AKOS011343704SY453573NS00052555ST51046053G83697
Database identifiers
- CAS
16613-87-9、72623-73-5- PubChem CID
- 85512
- DTXSID
DTXSID50877663- ChEMBL
CHEMBL119327- EC Number
- 240-663-5
- Nikkaji
- J318.259B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Melting point
- 44.2 °C · 44.2 °C
- Boiling point
- 188 · 188-198 °C(Press: 4.5 Torr)
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
- pka
- 14.8 · 14.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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