Basic information
- CAS
27601-64-5- Standard SMILES
CCNC(=O)OCC[NH+](CCOC(=O)NCC)CCc1ccccc1.[Cl-]- InChIKey
XSCWWMRVJWXCMT-UHFFFAOYSA-N- Molecular formula
- C18H30ClN3O4
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1924841
Names & identifiers
- Preferred name
- Carbamic acid, ethyl, diester with phenethyliminodiethanol, hydrochloride
- IUPAC
- bis[2-(ethylcarbamoyloxy)ethyl]-(2-phenylethyl)azanium chloride
Names & synonyms
CARBAMIC ACID, ETHYL, DIESTER with PHENETHYLIMINODIETHANOL, HYDROCHLORIDEEthanol, 2,2'-phenethyliminodi-, bis(ethylcarbamate), hydrochloride27601-64-5RefChem:332428
Database identifiers
- CAS
27601-64-5- PubChem CID
- 33963
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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