Basic information
- CAS
93804-04-7- Standard SMILES
CCCCCCCCCCCCCCCC/C=C/NC(=O)/C=C/C(=O)O- InChIKey
XIYWXKBSZXPHIL-LKRWSQIDSA-N- Molecular formula
- C22H39NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.29299411
Names & identifiers
- Preferred name
- 2-Butenoic acid, 4-(octadecenylamino)-4-oxo-
- IUPAC
- (E)-4-[[(E)-octadec-1-enyl]amino]-4-oxobut-2-enoic acid
- English name
- 4-(octadecenylamino)-4-oxo-2-butenoic acid
- Molecular formula
- C22H39NO3
- Molecular weight
- 365.54996
Names & synonyms
93804-04-7RefChem:4680442-Butenoic acid, 4-(octadecenylamino)-4-oxo-DTXSID1010676524-(Octadecenylamino)-4-oxo-2-butenoic acidEINECS 298-379-2SCHEMBL9580029XIYWXKBSZXPHIL-LKRWSQIDSA-N
Database identifiers
- CAS
93804-04-7- PubChem CID
- 6366233
- EC Number
- 298-379-2
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 402
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information2-Butenoic acid, 4-(octadecenylamino)-4-oxo-: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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