1-Propanol, 2-((2-(diethylamino)ethyl)amino)-, benzoate (ester), monohydrochloride
Basic information
- CAS
28073-47-4- Standard SMILES
CCN(CC)CCNC(C)COC(=O)c1ccccc1.Cl- InChIKey
YYMQGYDBVHNXLL-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.1761058
Names & identifiers
- Preferred name
- 1-Propanol, 2-((2-(diethylamino)ethyl)amino)-, benzoate (ester), monohydrochloride
- IUPAC
- 2-[2-(diethylamino)ethylamino]propyl benzoate;hydrochloride
Names & synonyms
2-(2-Diethylaminoethylamino)-1-propanol benzoate hydrochloride28073-47-41-Propanol, 2-((2-(diethylamino)ethyl)amino)-, benzoate (ester), monohydrochlorideRefChem:234629DTXSID409507972-{[2-(Diethylamino)ethyl]amino}propyl benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
28073-47-4- PubChem CID
- 214328
- DTXSID
DTXSID40950797
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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