Basic information
- Standard SMILES
O=C(Nc1cccnc1)Oc1ccccc1- InChIKey
ZBELOBHZQGHUNR-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422756
Names & identifiers
- Preferred name
- Phenyl pyridin-3-ylcarbamate
- IUPAC
- phenyl N-pyridin-3-ylcarbamate
- English name
- Pyridin-3-yl-carbamic acid phenyl ester
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
phenyl pyridin-3-ylcarbamate17738-06-6phenyl N-pyridin-3-ylcarbamatephenyl 3-pyridinylcarbamateMFCD06619613pyridin-3-yl-carbamic acid phenyl esterphenyl 3-pyridylcarbamateCarbamic acid, N-3-pyridinyl-, phenyl esterphenyl N-(pyridin-3-yl)carbamatephenyl 3-pyridinecarbamatephenylpyridin-3-ylcarbamate(PYRIDIN-3-YL)-CARBAMIC ACID PHENYL ESTER
Show more names
Phenoxycarbonic acid-3-pyridinamidePhenyl Pyridin-3-Ylcarbamate(WXC02985)pyridine-3-ylaminomacetic acidbenzenestercarbamic acid, 3-pyridinyl-, phenyl ester
SCHEMBL241619phenyl N-(3-pyridyl)carbamateDTXSID00426165ZBELOBHZQGHUNR-UHFFFAOYSA-NAKOS001183683NCGC00665248-01pyridine-3-yl-carbamic acid phenyl esterAS-65860
Database identifiers
- CAS
17738-06-6- PubChem CID
- 6935890
- DTXSID
DTXSID00426165
Properties
Computed structural properties
- XLogP
- 2.4
- 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
Physicochemical properties
- Boiling point
- 338.3 · 338.3±24.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 12.1 · 12.10±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers22 total
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Related reactions
126 records
Linked notes
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