Methyl N-(p-tolyl)carbamate
Basic information
- CAS
5602-96-0- Standard SMILES
COC(=O)Nc1ccc(C)cc1- InChIKey
OKBJVCWRESLMMD-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Methyl N-(p-tolyl)carbamate
- IUPAC
- methyl N-(4-methylphenyl)carbamate
- English name
- 4-Methylacetanilide
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
METHYL N-(P-TOLYL)CARBAMATERefChem:817955622-724-15602-96-0methyl N-(4-methylphenyl)carbamateMethyl p-tolylcarbamateCarbamic acid, 4-methylphenyl, methyl esterMethyl (4-methylphenyl)carbamateCarbamic acid, (4-methylphenyl)-, methyl esterSCHEMBL95445methyl-N-(4-tolyl)carbamateSCHEMBL514570
Show more names
P-ACETOTOLUIDINE4-ACETOTOLUIDINEACET-P-TOLUIDINEP-TOLYLACETAMIDE4-ACETAMIDOTOLUENEACETYL-P-TOLUIDINEN-P-TOLYLACETAMIDEP-METHYLACETANILDEN-ACETYL-P-TOLUIDINEACETO-P-AMINOTOLUENE
SCHEMBL5145714-tolylcarbamic acid methyl esterDTXSID30879509p-Tolyl-carbamic acid methyl esterAKOS003442245HS-3680F3035-0984
Database identifiers
- CAS
5602-96-0- PubChem CID
- 528092
- DTXSID
DTXSID30879509- EC Number
- 622-724-1
- Nikkaji
- J540.717F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP2.27
Physicochemical properties
- Melting point
- 149 · 149-151 °C(lit.)
- Boiling point
- 307 °C · 307 °C(lit.)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- pka
- 13.87 · 13.87±0.70(Predicted)
- CAS DataBase Reference
- 5602 · 5602-96-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- AN2930000
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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