Einecs 306-759-7
Basic information
- CAS
97403-97-9- Standard SMILES
CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O.NCCO- InChIKey
SXVNWPOKJREGMW-UHFFFAOYSA-N- Molecular formula
- C24H51NO7S
- Average molar mass
- 497.7 g/mol
- Monoisotopic mass
- 497.33862414
Names & identifiers
- Preferred name
- Einecs 306-759-7
- IUPAC
- 2-aminoethanol;2-methylpropyl 9-sulfooxyoctadecanoate
Names & synonyms
EINECS 306-759-797403-97-91-Isobutyl 9-(sulphooxy)octadecanoate, compound with 2-aminoethanol (1:1)DTXSID10913935EINECS 306-759-7;NS000660512-Methylpropyl 9-(sulfooxy)octadecanoate--2-aminoethan-1-ol (1/1)1-Isobutyl 9-(sulfooxy)octadecanoate,compound with 2-aminoethanol(1:1)
Database identifiers
- CAS
97403-97-9- PubChem CID
- 44153126
- DTXSID
DTXSID10913935- EC Number
- 306-759-7
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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