1-(1-Adamantyl)-1H-imidazole
Basic information
- CAS
69380-11-6- Standard SMILES
c1cn(C23CC4CC(CC(C4)C2)C3)cn1- InChIKey
PJWXDQVZZXNUQF-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Overview
1-(1-adamantyl)imidazole is a member of imidazoles.
Names & identifiers
- Preferred name
- 1-(1-Adamantyl)-1H-imidazole
- IUPAC
- 1-(1-adamantyl)imidazole
- English name
- 2-(1-adamantyl)imidazole
- Molecular formula
- C13H18N2
- Molecular weight
- 202.3
Names & synonyms
1-(1-adamantyl)-1H-imidazoleRefChem:419616636-217-81-(1-adamantyl)imidazole1-(adamantan-1-yl)-1H-imidazoleN-adamantylimidazoleNSC283155starbld0014920MLS000037904SCHEMBL1497456CHEMBL1452429REGID_for_CID_323381
Show more names
2-(1-adamantyl)imidazole1-(1H-Imidazole-1-yl)adamantane1H-Imidazole, 1-tricyclo(3.3.1.13,7)dec-1-yl-
DTXSID30877267CHEBI:107778HMS2375K081-(1-IMIDAZOLYL)ADAMANTANESTL326994AKOS022096236AKOS040768641NSC-283155
Database identifiers
- CAS
69380-11-6- PubChem CID
- 323381
- DTXSID
DTXSID30877267- ChEMBL
CHEMBL1452429- ChEBI
CHEBI:107778- Nikkaji
- J359.903E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
LogP2.9
Physicochemical properties
- Melting point
- 109 · 109-113 °C(Solvent: Isopropanol)
- Boiling point
- 364.295 · 364.295±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.361 · 1.361±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.04 · 7.040±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Additional notes
DefinitionChEBI: 1-(1-adamantyl)imidazole is a member of imidazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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