Basic information
- CAS
36613-26-0- Standard SMILES
Cc1ccc(NC(=O)OC(C)C)cc1- InChIKey
OCJDJZUWXVNOQW-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Carbanilic acid, p-methyl-, isopropyl ester
- IUPAC
- propan-2-yl N-(4-methylphenyl)carbamate
- English name
- 4-Methylphenylcarbamic acid isopropyl ester
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
Isopropyl p-methylcarbanilate36613-26-0USAF EL-72BRN 3031298CARBANILIC ACID, p-METHYL-, ISOPROPYL ESTERDTXSID301900894-12-00-01922 (Beilstein Handbook Reference)ISOPROPYL N-(P-TOLYL)CARBAMATERefChem:574153DTXCID90112580666-765-3Carbamic acid, 4-methylphenyl, 1-methylethyl ester
Show more names
N-(4-Methylphenyl)carbamic acid 1-methylethyl esterCarbamic acid, N-(4-methylphenyl)-, 1-methylethyl ester
isopropyl N-(4-methylphenyl)carbamate4-Methylphenylcarbamic acid isopropyl esterSCHEMBL2188393SCHEMBL10192163OCJDJZUWXVNOQW-UHFFFAOYSA-NAKOS002935348propan-2-yl (4-methylphenyl)carbamateDB-263206
Database identifiers
- CAS
36613-26-0- PubChem CID
- 37489
- DTXSID
DTXSID30190089- EC Number
- 666-765-3
- Nikkaji
- J42.861B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 54 °C · 54 °C
- Boiling point
- 241.9 · 241.9±19.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 13.74 · 13.74±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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