Basic information
- CAS
13080-33-6- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCNCCOC(=O)CCCCCCCCCCCCCCC- InChIKey
KJEGNOWTEOOCKC-UHFFFAOYSA-N- Molecular formula
- C36H71NO4
- Average molar mass
- 582 g/mol
- Monoisotopic mass
- 581.53830975
Names & identifiers
- Preferred name
- 2-(2-Hexadecanoyloxyethylamino)ethyl hexadecanoate
- IUPAC
- 2-(2-hexadecanoyloxyethylamino)ethyl hexadecanoate
- English name
- 2,2'-Iminobis(ethanol palmitate)
- Molecular formula
- C36H71NO4
- Molecular weight
- 581.95
Names & synonyms
13080-33-62-(2-Hexadecanoyloxyethylamino)ethyl hexadecanoateKJEGNOWTEOOCKC-UHFFFAOYSA-NDiethanolamine dihexadecanoate2,2'-Iminobis(ethanol palmitate)2,2'-Iminobis(ethanol hexadecanoate)Hexadecanoic acid, 1,1'-(iminodi-2,1-ethanediyl) ester
Database identifiers
- CAS
13080-33-6- PubChem CID
- 12083979
- Nikkaji
- J122.500F
Properties
Computed structural properties
- XLogP
- 14.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 36
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 631.1 · 631.1±40.0 °C(Predicted)
- Density
- 0.911 · 0.911±0.06 g/cm3(Predicted)
- pka
- 7.03 · 7.03±0.19(Predicted)
Chemistry & industry
Suppliers1 total
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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