Tert-butyl 4-(hydroxymethyl)-1H-imidazole-1-carboxylate
Basic information
- CAS
120277-50-1- Standard SMILES
CC(C)(C)OC(=O)n1cnc(CO)c1- InChIKey
BQPGKWMFPIWAGE-UHFFFAOYSA-N- Molecular formula
- C9H14N2O3
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.10044231
Names & identifiers
- Preferred name
- Tert-butyl 4-(hydroxymethyl)-1H-imidazole-1-carboxylate
- IUPAC
- tert-butyl 4-(hydroxymethyl)imidazole-1-carboxylate
- English name
- TERT-BUTYL 4-(HYDROXYMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE
- Molecular formula
- C9H14N2O3
- Molecular weight
- 198.22
Names & synonyms
120277-50-1TERT-BUTYL 4-(HYDROXYMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATETert-butyl 4-(hydroxymethyl)imidazole-1-carboxylateMFCD082750181-tert-butoxycarbonylimidazol-4-ylcarbinol1,1-dimethylethyl 4-(hydroxymethyl)-1H-imidazole-1-carboxylateSCHEMBL4145435DTXSID80469696BQPGKWMFPIWAGE-UHFFFAOYSA-NAKOS006285015AB44549DA-47263
Show more names
CS-0106364C90381EN300-1879575F617168t-Butyl 4-(hydroxymethyl)-1H-imidaZole-1-carboxylate1H-Imidazole-1-carboxylic acid, 4-(hydroxymethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
120277-50-1- PubChem CID
- 11629781
- DTXSID
DTXSID80469696- EC Number
- 142-980-3
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 336.5 · 336.5±34.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 13.33 · 13.33±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…