2-IMIDAZOLINE, 2-(o-METHYLBENZYL)-
Basic information
- CAS
3038-50-4- Standard SMILES
Cc1ccccc1CC1=NCCN1- InChIKey
ADABQLGCWDRNAU-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- 2-IMIDAZOLINE, 2-(o-METHYLBENZYL)-
- IUPAC
- 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
- English name
- 2-(2-Methylbenzyl)-2-imidazoline
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
2-IMIDAZOLINE, 2-(o-METHYLBENZYL)-2-(o-Methylbenzyl)-2-imidazoline3038-50-4BRN 09573862-(2-Methylbenzyl)-2-imidazoline2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazoleSCHEMBL953620DTXSID701844621H-Imidazole, 4,5-dihydro-2-[(2-methylphenyl)methyl]-
Database identifiers
- CAS
3038-50-4- PubChem CID
- 18216
- DTXSID
DTXSID70184462- Nikkaji
- J40.924C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 77 · 77-79 °C
- Boiling point
- 354.7 · 354.7±21.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 10.55 · 10.55±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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