Basic information
- CAS
27601-65-6- Standard SMILES
CCCCNC(=O)OCC[NH+](CCOC(=O)NCCCC)CCc1ccccc1.[Cl-]- InChIKey
FWGIPPQWKWEFKN-UHFFFAOYSA-N- Molecular formula
- C22H38ClN3O4
- Average molar mass
- 444 g/mol
- Monoisotopic mass
- 443.2550844
Names & identifiers
- Preferred name
- Carbamic acid, butyl-, diester with phenethyliminodiethanol, hydrochloride
- IUPAC
- bis[2-(butylcarbamoyloxy)ethyl]-(2-phenylethyl)azanium chloride
Names & synonyms
CARBAMIC ACID, BUTYL-, DIESTER with PHENETHYLIMINODIETHANOL, HYDROCHLORIDEEthanol, 2,2'-phenethyliminodi-, bis(butylcarbamate), hydrochloride27601-65-6RefChem:332327
Database identifiers
- CAS
27601-65-6- PubChem CID
- 33965
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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