Basic information
- CAS
61792-39-0- Standard SMILES
CCCCCCCCC1OC1CCCCCCCC(=O)O.N- InChIKey
QEJJTNVKOQFTEP-UHFFFAOYSA-N- Molecular formula
- C18H37NO3
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.27734404
Names & identifiers
- Preferred name
- Ammonium 9,10-dioxystearate
- IUPAC
- azane;8-(3-octyloxiran-2-yl)octanoic acid
Names & synonyms
Ammonium 9,10-dioxystearate6Z25N6P5XWAMMONIUM 9,10-EPOXYSTEARATEOxiraneoctanoic acid, 3-octyl-, ammonium saltUNII-6Z25N6P5XWDTXSID70977371QEJJTNVKOQFTEP-UHFFFAOYSA-NEINECS 263-221-38-(3-Octyloxiran-2-yl)octanoic acid--ammonia (1/1)Q27265749
Database identifiers
- CAS
61792-39-0- PubChem CID
- 112448
- DTXSID
DTXSID70977371
Properties
Computed structural properties
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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