Basic information
- CAS
35610-40-3- Standard SMILES
CCN(CC)CCCC(=O)c1c(OC)cc(OC)cc1OC.Cl- InChIKey
BXSVUERCGRCUIC-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO4
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1706861
Names & identifiers
- Preferred name
- 1-Butanone, 4-(diethylamino)-1-(2,4,6-trimethoxyphenyl)-, hydrochloride
- IUPAC
- 4-(diethylamino)-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride
Names & synonyms
35610-40-31-Butanone, 4-(diethylamino)-1-(2,4,6-trimethoxyphenyl)-, hydrochlorideButyrophenone, 4-(diethylamino)-2',4',6'-trimethoxy-, hydrochlorideDTXSID401890854-(Diethylamino)-1-(2,4,6-trimethoxyphenyl)-1-butanone hydrochlorideN,N-Diethylamino-4-(trimethoxy-2,4,6-phenyl)-1 butanone-1 chlorhydrate [French]N,N-Diethylamino-4-(trimethoxy-2,4,6-phenyl)-1 butanone-1 chlorhydrateRefChem:228937DTXCID701115764-(Diethylamino)-1-(2,4,6-trimethoxyphenyl)butan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
35610-40-3- PubChem CID
- 215364
- DTXSID
DTXSID40189085
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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