1-(2,4-Dichlorophenyl)-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)
Basic information
- CAS
42740-17-0- Standard SMILES
Cl.O=C(OC(CCN1CCOCC1)c1ccc(Cl)cc1Cl)c1ccccc1- InChIKey
TZVHVNHEXIIYDY-UHFFFAOYSA-N- Molecular formula
- C20H22Cl3NO3
- Average molar mass
- 430.7 g/mol
- Monoisotopic mass
- 429.066527
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenyl)-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)
- IUPAC
- [1-(2,4-dichlorophenyl)-3-morpholin-4-ylpropyl] benzoate;hydrochloride
Names & synonyms
42740-17-0DTXSID709626611-(2,4-Dichlorophenyl)-3-(morpholin-4-yl)propyl benzoate--hydrogen chloride (1/1)RefChem:1053827DTXCID001390458alpha-(2,4-Dichlorophenyl)-4-morpholinepropanol benzoate (ester) hydrochlorideBenzoic acid, 1-(2,4-dichlorophenyl)-3-morpholinopropyl ester, hydrochloride4-Morpholinepropanol, alpha-(2,4-dichlorophenyl)-, benzoate (ester), hydrochloride
Database identifiers
- CAS
42740-17-0- PubChem CID
- 3039261
- DTXSID
DTXSID70962661
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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