Basic information
- CAS
2352-88-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C(=O)O- InChIKey
CJMFXGGZYSIPRT-UHFFFAOYSA-N- Molecular formula
- C48H85N3O5
- Average molar mass
- 784.2 g/mol
- Monoisotopic mass
- 783.64892282
Names & identifiers
- Preferred name
- 2-((Bis(2-((1-oxooctadecyl)amino)ethyl)amino)carbonyl)benzoic acid
- IUPAC
- 2-[bis[2-(octadecanoylamino)ethyl]carbamoyl]benzoic acid
- English name
- 2-[[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]carbonyl]benzoic acid
- Molecular formula
- C48H85N3O5
- Molecular weight
- 784.2056
Names & synonyms
2352-88-7EINECS 219-088-92-((Bis(2-((1-oxooctadecyl)amino)ethyl)amino)carbonyl)benzoic acidDTXSID801781102-[[BIS[2-[(1-OXOOCTADECYL)AMINO]ETHYL]AMINO]CARBONYL]BENZOIC ACIDRefChem:83739DTXCID10100601219-088-92-[BIS(2-OCTADECANAMIDOETHYL)CARBAMOYL]BENZOIC ACIDCJMFXGGZYSIPRT-UHFFFAOYSA-NNS00027447Benzoic acid, 2-[[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]carbonyl]-
Database identifiers
- CAS
2352-88-7- PubChem CID
- 75375
- DTXSID
DTXSID80178110- EC Number
- 219-088-9
- Nikkaji
- J213.209E
Properties
Computed structural properties
- XLogP
- 16.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 40
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 907
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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