Dimethyl 4-methyl-1,3-phenylenedicarbamate
Basic information
- CAS
6935-99-5- Standard SMILES
COC(=O)Nc1ccc(C)c(NC(=O)OC)c1- InChIKey
CNPWIVIIZHULCN-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- Dimethyl 4-methyl-1,3-phenylenedicarbamate
- IUPAC
- methyl N-[3-(methoxycarbonylamino)-4-methylphenyl]carbamate
- English name
- NSC 36549
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
DIMETHYL 4-METHYL-1,3-PHENYLENEDICARBAMATERefChem:588212684-846-1Obtucarbamate A6935-99-5methyl N-[3-(methoxycarbonylamino)-4-methylphenyl]carbamateMFCD00025849Dimethyl (4-methyl-1,3-phenylene)dicarbamateObtucarbamateAmethyl N-{5-[(methoxycarbonyl)amino]-2-methylphenyl}carbamateMLS000090026SCHEMBL716888
Show more names
NSC 36549Obtucarbamate A, 10 mM in DMSODimethyl 4-methylbenzene-1,3-dicarbamatemethylN-[3-(methoxycarbonylamino)-4-methylphenyl]carbamateCarbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-dimethyl ester
orb1217724orb1297263CHEMBL1872292SCHEMBL29922263dimethyl toluene-2,4-dicarbamateDTXSID80284285methyl 3-[(methoxycarbonyl)amino]-4-methylphenylcarbamateCNPWIVIIZHULCN-UHFFFAOYSA-N
Database identifiers
- CAS
6935-99-5- PubChem CID
- 235307
- DTXSID
DTXSID80284285- ChEMBL
CHEMBL1872292- EC Number
- 684-846-1
- Nikkaji
- J633.144K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 271.5 · 271.5±40.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in DMSO
- pka
- 13.73 · 13.73±0.70(Predicted)
- form
- Solid
- color
- Off-white to gray
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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, P280, P302+P352, P321, P333+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesObtucarbamate A isolated from Disporum cantoniense has antitussive activity[1].
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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