Methyl N-(2,6-diisopropylphenyl)carbamate
Basic information
- CAS
39076-23-8- Standard SMILES
COC(=O)Nc1c(C(C)C)cccc1C(C)C- InChIKey
JQDLSVLPYFAASJ-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- Methyl N-(2,6-diisopropylphenyl)carbamate
- IUPAC
- methyl N-[2,6-di(propan-2-yl)phenyl]carbamate
- English name
- 2,6-Diisopropylphenylcarbamic acid methyl ester
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
39076-23-8METHYL N-(2,6-DIISOPROPYLPHENYL)CARBAMATERefChem:817900665-780-2Carbamic acid, [2,6-bis(1-methylethyl)phenyl]-, methyl esterDTXSID50877628JQDLSVLPYFAASJ-UHFFFAOYSA-NAKOS024336000Methyl 2,6-diisopropylphenylcarbamate #Methyl [2,6-di(propan-2-yl)phenyl]carbamate2,6-Diisopropylphenylcarbamic acid methyl esterN-(2,6-Diisopropylphenyl)carbamic acid methyl ester
Show more names
Carbamic acid, [2,6-bis(1-methylethyl)phenyl]-, methyl ester (9CI)
Database identifiers
- CAS
39076-23-8- PubChem CID
- 616592
- DTXSID
DTXSID50877628- EC Number
- 665-780-2
- Nikkaji
- J108.697I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
LogP2.2
Physicochemical properties
- Boiling point
- 272 · 272.0±29.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 13.8 · 13.80±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
Suppliers
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Related reactions
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Compound notes
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