Basic information
- CAS
302-66-9- Standard SMILES
C#CC(C)(CC)OC(N)=O- InChIKey
GXCDLJXPZVCHBX-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- Meparfynol Carbamate
- IUPAC
- 3-methylpent-1-yn-3-yl carbamate
- English name
- 1-ethyl-1-methylprop-2-ynyl carbamate
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
MEPARFYNOL CARBAMATEFormarinPlacidalVeredenOblivon NMethylpentynol carbamate3-methylpent-1-yn-3-yl carbamateZ7LGX24O53Carbamic acid, 1-ethyl-1-methyl-2-propynyl esterDTXSID40871630RefChem:925489DTXCID50819280
Show more names
METHYLPENTYNOLCARBAMATE1-ethyl-1-methyl-2-propynyl carbamate1-Pentyn-3-ol, 3-methyl-, 3-carbamate1-ethyl-1-methylprop-2-ynyl carbamatecarbamic acid (1-ethyl-1-methyl-prop-2-ynyl) ester
206-125-9AnansiolMepentamateOlosedCalminolPsicosedinaOvettenN Oblivon
Database identifiers
- CAS
302-66-9- PubChem CID
- 9333
- DTXSID
DTXSID40871630- ChEMBL
CHEMBL453247- UNII
- Z7LGX24O53
- EC Number
- 206-125-9
- Nikkaji
- J5.483F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 55.8 · 55.8-57° (McLamore); mp 53.5-55° (McCrea)
- Boiling point
- 16 · bp16 120-121°; bp0.01 95°
- Density
- 1.1522 · 1.1522 (rough estimate)
- refractive index
- 1.43 · 1.4300 (estimate)
- pka
- 12.98 · 12.98±0.50(Predicted)
- FDA UNII
- 7 LGX24O53 · Z7LGX24O53
- Toxicity
- 50 · LD50 (4 hr) s.c. in mice: 0.56 g/kg (Soehring)
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 (4 hr) s.c. in mice: 0.56 g/kg (Soehring)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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