1-Propanone, 3-(dibutylamino)-1-(3-ethyl-4-methoxyphenyl)-, hydrochloride

HCID 3040367

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Basic information

CAS: 52100-92-2
Standard SMILES: CCCCN(CCCC)CCC(=O)c1ccc(OC)c(CC)c1.Cl
InChIKey: JVMSNZHUUDNMQY-UHFFFAOYSA-N
Molecular formula: C20H34ClNO2
Average molar mass: 355.9 g/mol
Monoisotopic mass: 355.227807

Names & identifiers

Preferred name: 1-Propanone, 3-(dibutylamino)-1-(3-ethyl-4-methoxyphenyl)-, hydrochloride
IUPAC: 3-(dibutylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-one;hydrochloride

Names & synonyms

3-Dibutylamino-3'-ethyl-4'-methoxy-propiophenone hydrochloride52100-92-2DTXSID802001071-Propanone, 3-(dibutylamino)-1-(3-ethyl-4-methoxyphenyl)-, hydrochloridebeta-Di-n-butylaminoaethyl-(4-methoxy-3-aethylphenyl)-ketonhydrocholorid [German]Propiophenone, 3-dibutylamino-3'-ethyl-4'-methoxy-, hydrochloridebeta-Di-n-butylaminoaethyl-(4-methoxy-3-aethylphenyl)-ketonhydrocholorid1-Propanone, 3-(dibutylamino)-1-(3-ethyl-4-methoxyphenyl)-, hydrochloride (9CI)RefChem:234989DTXCID401225983-(Dibutylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-one--hydrogen chloride (1/1)

Database identifiers

CAS: 52100-92-2
PubChem CID: 3040367
DTXSID: DTXSID80200107

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 12
Heavy atoms: 24
Formal charge: 0
Complexity: 311

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