benzyl N-(1H-pyrazol-4-yl)carbamate
Basic information
- CAS
1156352-60-1- Standard SMILES
O=C(Nc1cn[nH]c1)OCc1ccccc1- InChIKey
HOYQHOBEVBNOHC-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- benzyl N-(1H-pyrazol-4-yl)carbamate
- IUPAC
- benzyl N-(1H-pyrazol-4-yl)carbamate
- English name
- benzyl N-(1H-pyrazol-4-yl)carbamate
- Molecular formula
- C11H11N3O2
- Molecular weight
- 217.22
Names & synonyms
benzyl N-(1H-pyrazol-4-yl)carbamate1156352-60-1Benzyl (1H-pyrazol-4-yl)carbamateSCHEMBL3719682GWB35260benzylN-(1H-pyrazol-4-yl)carbamateCS-0145378EN300-247615G51124Carbamic acid, N-1H-pyrazol-4-yl-, phenylmethyl ester
Database identifiers
- CAS
1156352-60-1- PubChem CID
- 43540488
- EC Number
- 113-304-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 385.4 · 385.4±25.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- 13.34 · 13.34±0.70(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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…