Basic information
- CAS
110520-86-0- Standard SMILES
O=C(Nc1ccccc1)Oc1cccnc1- InChIKey
UPRPNGGSKFBCOW-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- 3-Pyridyl N-phenylcarbamate
- IUPAC
- pyridin-3-yl N-phenylcarbamate
Names & synonyms
110520-86-0RefChem:5052443-Pyridyl N-phenylcarbamate667-610-2pyridin-3-yl phenylcarbamateCHEMBL1173543NSC745523-pyridinyl phenylcarbamateNCIOpen2_004132SCHEMBL6209017BDBM50321914NSC-74552
Show more names
AKOS024334271
Database identifiers
- CAS
110520-86-0- PubChem CID
- 252525
- ChEMBL
CHEMBL1173543- EC Number
- 667-610-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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