Basic information
- CAS
102701-04-2- Standard SMILES
CC[NH+](CC)CC(OC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1.[Cl-]- InChIKey
RFIWQQUEPTVWFP-UHFFFAOYSA-N- Molecular formula
- C22H30ClNO5
- Average molar mass
- 423.9 g/mol
- Monoisotopic mass
- 423.1812508
Names & identifiers
- Preferred name
- 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[2-phenyl-2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
Names & synonyms
102701-04-2DTXSID509080072-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)RefChem:1061565DTXCID6013370943,4,5-Trimethoxybenzoic acid alpha-((diethylamino)methyl)benzyl ester hydrochlorideBenzoic acid, 3,4,5-trimethoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride
Database identifiers
- CAS
102701-04-2- PubChem CID
- 59697
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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