2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
Basic information
- CAS
315230-91-2- Standard SMILES
COc1cc(OC)c(C2Nc3cccc4cccc(c34)N2)c(OC)c1- InChIKey
VLBQWFZKQNEMRT-UHFFFAOYSA-N- Molecular formula
- C20H20N2O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1473925
Names & identifiers
- Preferred name
- 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
- IUPAC
- 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
- English name
- 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
- Molecular formula
- C20H20N2O3
- Molecular weight
- 336.38
Names & synonyms
2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine315230-91-2MLS001197429SMR000555268CBMicro_008198ChemDiv1_021901Oprea1_819530cid_761632CHEMBL1411272SCHEMBL13035706HMS649D11BDBM114566
Show more names
1H-Perimidine, 2,3-dihydro-2-(2,4,6-trimethoxyphenyl)-
DTXSID501325468HMS2873H23SMSF0013220STL334075AKOS001615746CCG-107151BIM-0008310.P001AF-399/14139031
Database identifiers
- CAS
315230-91-2- PubChem CID
- 761632
- DTXSID
DTXSID501325468- ChEMBL
CHEMBL1411272- EC Number
- 103-984-0
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility4.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 569.8 · 569.8±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 2.86 · 2.86±0.40(Predicted)
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Compound notes
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