Phenyl N-(P-anisyl)carbamate
Basic information
- CAS
20950-96-3- Standard SMILES
COc1ccc(NC(=O)Oc2ccccc2)cc1- InChIKey
GBVCBHSFYDKGFP-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- Phenyl N-(P-anisyl)carbamate
- IUPAC
- phenyl N-(4-methoxyphenyl)carbamate
- English name
- phenyl N-(4-methoxyphenyl)carbamate
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
PHENYL N-(P-ANISYL)CARBAMATERefChem:861615664-979-1phenyl N-(4-methoxyphenyl)carbamate20950-96-3Phenyl (4-methoxyphenyl)carbamateNSC25128Maybridge3_000564Oprea1_071795Oprea1_581295CHEMBL2271148SCHEMBL11183948
Show more names
(4-methoxyphenyl)carbamic acid phenyl esterCarbamic acid, N-(4-methoxyphenyl)-, phenyl ester
DTXSID20282245HMS1432J14NSC-25128AKOS008917228PHENYL 4-METHOXYPHENYLCARBAMATEIDI1_011951DA-31927SR-01000003400
Database identifiers
- CAS
20950-96-3- PubChem CID
- 230348
- DTXSID
DTXSID20282245- ChEMBL
CHEMBL2271148- EC Number
- 664-979-1
- Nikkaji
- J1.679.297G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 355.5 · 355.5±34.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 12.44 · 12.44±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H317
- Precautionary statements
- 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H317
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…