[(2-Phenylethyl)azanediyl]di(ethane-2,1-diyl) bis(hydrogen ethylcarbonimidate)--hydrogen chloride (1/1)
Basic information
- CAS
27601-64-5- Standard SMILES
CCNC(=O)OCCN(CCOC(=O)NCC)CCc1ccccc1.Cl- InChIKey
XSCWWMRVJWXCMT-UHFFFAOYSA-N- Molecular formula
- C18H30ClN3O4
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1924841
Overview
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Names & identifiers
- Preferred name
- [(2-Phenylethyl)azanediyl]di(ethane-2,1-diyl) bis(hydrogen ethylcarbonimidate)--hydrogen chloride (1/1)
- IUPAC
- 2-[2-(ethylcarbamoyloxy)ethyl-(2-phenylethyl)amino]ethyl N-ethylcarbamate;hydrochloride
Names & synonyms
NSC607723DTXSID10950269NSC-607723[(2-Phenylethyl)azanediyl]di(ethane-2,1-diyl) bis(hydrogen ethylcarbonimidate)--hydrogen chloride (1/1)
Database identifiers
- CAS
27601-64-5- PubChem CID
- 354940
- DTXSID
DTXSID10950269
Properties
Computed structural properties
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 349
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