Carbamic acid, propyl, diester with phenethyliminodiethanol, hydrochloride

HCID 33879

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Basic information

CAS: 27467-10-3
Standard SMILES: CCCNC(=O)OCC[NH+](CCOC(=O)NCCC)CCc1ccccc1.[Cl-]
InChIKey: HRZNYYUVVAMNNM-UHFFFAOYSA-N
Molecular formula: C20H34ClN3O4
Average molar mass: 416 g/mol
Monoisotopic mass: 415.2237843

Names & identifiers

Preferred name: Carbamic acid, propyl, diester with phenethyliminodiethanol, hydrochloride
IUPAC: 2-phenylethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium chloride

Names & synonyms

CARBAMIC ACID, PROPYL, DIESTER with PHENETHYLIMINODIETHANOL, HYDROCHLORIDEEthanol, 2,2'-phenethyliminodi-, bis(propylcarbamate), hydrochloride27467-10-3RefChem:332729

Database identifiers

CAS: 27467-10-3
PubChem CID: 33879

Properties

Computed structural properties

Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 15
Heavy atoms: 28
Formal charge: 0
Complexity: 375

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