(3,4-Dihydroxybenzyl)-2-imidazoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
72463-91-3- Standard SMILES
COc1ccc(CC2=NCCN2)cc1OC- InChIKey
VVEPDEYYAPYVLS-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Overview
called dopamine analog & tested for dopamine receptor activity
Names & identifiers
- Preferred name
- (3,4-Dihydroxybenzyl)-2-imidazoline
- IUPAC
- 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
- English name
- (3,4-dihydroxybenzyl)-2-imidazoline
- Molecular formula
- C12H16N2O2
- Molecular weight
- 220.27
Names & synonyms
72463-91-3(3,4-Dihydroxybenzyl)-2-imidazoline1H-Imidazole, 2-((3,4-dimethoxyphenyl)methyl)-4,5-dihydro-RefChem:9059222-(3,4-dimethoxybenzyl)-4,5-dihydro-1h-imidazole2-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole1H-Imidazole,2-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydro-2-Veratryl-2-imidazoline2-Imidazoline, 2-veratryl-NIOSH/NJ4725400DTXSID309932742-(3',4'-Dimethoxybenzyl)imidazolin
Show more names
1H-Imidazole, 2-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydro-
NJ472540002-(3',4'-Dimethoxybenzyl)imidazolin [German]AE-848/36959133
Database identifiers
- CAS
72463-91-3- PubChem CID
- 194451
- DTXSID
DTXSID30993274- Nikkaji
- J362.742J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 400.4 · 400.4±35.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 10.46 · 10.46±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…