Basic information
- CAS
4982-76-7- Standard SMILES
COc1ccc(NC(=O)OCc2ccncc2)cc1- InChIKey
QQOMVMHBXKYZFL-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- CARBANILIC ACID, p-METHOXY-, 4-PYRIDYLMETHYL ESTER
- IUPAC
- pyridin-4-ylmethyl N-(4-methoxyphenyl)carbamate
- English name
- 4-Methoxycarbanilic acid 4-pyridylmethyl ester
- Molecular formula
- C14H14N2O3
- Molecular weight
- 258.27
Names & synonyms
4982-76-7CARBANILIC ACID, p-METHOXY-, 4-PYRIDYLMETHYL ESTERp-Methoxycarbanilic acid 4-pyridylmethyl esterBRN 15413454-Methoxycarbanilic acid 4-pyridylmethyl esterDTXSID80198095(Pyridin-4-yl)methyl (4-methoxyphenyl)carbamate4-Methoxyphenylcarbamic acid 4-pyridylmethyl esterCarbamic acid, (4-methoxyphenyl)-, 4-pyridinylmethyl ester (9CI)
Database identifiers
- CAS
4982-76-7- PubChem CID
- 21084
- DTXSID
DTXSID80198095- Nikkaji
- J68.095H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 388.8 · 388.8±32.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 12.58 · 12.58±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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