Basic information
- CAS
63886-38-4- Standard SMILES
COc1cc(C(=O)N2CCCC2)cc(OC)c1OC- InChIKey
GSYJYMHUFBKDCU-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(3,4,5-trimethoxybenzoyl)-
- IUPAC
- pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methanone
- English name
- 1-(3,4,5-Trimethoxybenzoyl)pyrrolidine
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.3
Names & synonyms
63886-38-4Pyrrolidine, 1-(3,4,5-trimethoxybenzoyl)-pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methanone1-(3,4,5-TRIMETHOXYBENZOYL)PYRROLIDINEMethanone,1-pyrrolidinyl(3,4,5-trimethoxyphenyl)-(Pyrrolidin-1-yl)(3,4,5-trimethoxyphenyl)methanoneBRN 1350819LG 50,049N-(3,4,5-Trimethoxybenzoyl)pyrrolidineOprea1_726465SCHEMBL27535462DTXSID00213476
Show more names
LG-50049Methanone, 1-pyrrolidinyl(3,4,5-trimethoxyphenyl)-
STK413100AKOS003239576DB-290632pyrrolidinyl 3,4,5-trimethoxyphenyl ketoneST45023007ST50437683pyrrolidin-1-yl(3,4,5-trimethoxyphenyl)methanone
Database identifiers
- CAS
63886-38-4- PubChem CID
- 792006
- DTXSID
DTXSID00213476- Nikkaji
- J107.026F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 159 · 159-160 °C
- Boiling point
- 431.5 · 431.5±45.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- -1.29 · -1.29±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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