1,2-Propanediol, 3-(2-methylphenoxy)-, 1-carbamate
Basic information
- CAS
533-06-2- Standard SMILES
Cc1ccccc1OCC(O)COC(N)=O- InChIKey
KRPAJLYSLFNDOA-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Overview
Mephenesin carbamate is an aromatic ether.
Names & identifiers
- Preferred name
- 1,2-Propanediol, 3-(2-methylphenoxy)-, 1-carbamate
- IUPAC
- [2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
- English name
- 2-hydroxy-3-(o-tolyloxy)propyl carbamate
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
Mephenesin carbamate533-06-22-Hydroxy-3-(o-tolyloxy)propyl carbamate3-(2-Methylphenoxy)-1,2-propanediol 1-carbamatePAD6SXB23N1,2-Propanediol, 3-(2-methylphenoxy)-, 1-carbamateNSC-169508DTXSID201023823RefChem:156507DTXCID901508139208-553-1Tolseram
Show more names
carbamic acid [2-hydroxy-3-(2-methylphenoxy)propyl] ester
KimavoxylSQ 23033-o-Toloxy-2-hydroxypropyl 1-carbamate2-Hydroxy-3-o-tolyloxypropyl 1-carbamate3-o-Tolyloxy-2-hydroxypropyl 1-carbamateNSC 169508[2-hydroxy-3-(2-methylphenoxy)propyl] carbamate3-o-Toloxy-1,2-propanediol 1-carbamic acid ester
Database identifiers
- CAS
533-06-2- PubChem CID
- 10775
- DTXSID
DTXSID201023823- ChEBI
CHEBI:134925- UNII
- PAD6SXB23N
- EC Number
- 208-553-1
- Nikkaji
- J6.996E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 93 °; · about 93°; mp 80-84°
- Boiling point
- 366.75 °C · 366.75°C (rough estimate)
- Density
- 1.2102 · 1.2102 (rough estimate)
- refractive index
- 1.508 · 1.5080 (estimate)
- FDA UNII
- 6 SXB23N · PAD6SXB23N
- Toxicity
- 50 in · LD50 in mice (mM/kg): 2.77 i.p.; 7.67 orally (Dresel, Slater)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice (mM/kg): 2.77 i.p.; 7.67 orally (Dresel, Slater)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Mephenesin carbamate is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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