Basic information
- CAS
101-30-4- Standard SMILES
COc1cc(CC2=NCCN2)cc(OC)c1OC- InChIKey
XJNCXQWJMJWBEJ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- 4,5-Dihydro-2-((3,4,5-trimethoxyphenyl)methyl)-1H-imidazole
- IUPAC
- 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
- English name
- 4,5-Dihydro-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.29
Names & synonyms
Phedrazine101-30-44,5-Dihydro-2-[(3,4,5-Trimethoxyphenyl)Methyl]-1H-ImidazoleDTXSID901436174,5-Dihydro-2-((3,4,5-trimethoxyphenyl)methyl)-1H-imidazoleRefChem:1069382DTXCID10661082-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazolePhedracineCiba 2020PhedracinPhedrazin [German]
Show more names
1H-Imidazole, 4,5-dihydro-2-[(3,4,5-trimethoxyphenyl)methyl]-
PhedrazinBRN 02450122-(3',4',5'-Trimethoxybenzyl)imidazoline4-23-00-03366 (Beilstein Handbook Reference)2-IMIDAZOLINE, 2-(3,4,5-TRIMETHOXYBENZYL)-SCHEMBL107772231H-Imidazole, 4,5-dihydro-2-((3,4,5-trimethoxyphenyl)methyl)-
Database identifiers
- CAS
101-30-4- PubChem CID
- 7552
- DTXSID
DTXSID90143617- Nikkaji
- J5.513A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 76 · 76-77 °C
- Boiling point
- 170 · 170-171 °C(Press: 0.15 Torr)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 10.37 · 10.37±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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