Basic information
- CAS
18278-43-8- Standard SMILES
C#CCOCOc1cccc(OC(=O)NC)c1- InChIKey
RZSKBLLMNZPTPM-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, m-((2-propynyloxy)methoxy)phenyl ester
- IUPAC
- [3-(prop-2-ynoxymethoxy)phenyl] N-methylcarbamate
- English name
- N-Methylcarbamic acid m-[(2-propynyloxy)methoxy]phenyl ester
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.24
Names & synonyms
18278-43-8Hercules 9908CARBAMIC ACID, METHYL-, m-((2-PROPYNYLOXY)METHOXY)PHENYL ESTERm-((2-Propynyloxy)methoxy)phenyl methylcarbamateDTXSID10171331RefChem:332569DTXCID7093822[3-(prop-2-ynoxymethoxy)phenyl] N-methylcarbamate3-((Prop-2-yn-1-yloxy)methoxy)phenyl methylcarbamatestarbld0048179orb1697965AKOS040751002
Show more names
m-((2-propynyloxy)methoxy)phenyl esterN-Methylcarbamic acid m-[(2-propynyloxy)methoxy]phenyl ester
T307113-{[(Prop-2-yn-1-yl)oxy]methoxy}phenyl methylcarbamatePhenol, 3-[(2-propyn-1-yloxy)methoxy]-, 1-(N-methylcarbamate)
Database identifiers
- CAS
18278-43-8- PubChem CID
- 29007
- DTXSID
DTXSID10171331- Nikkaji
- J42.804C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 355.7 · 355.7±42.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- pka
- 12.1 · 12.10±0.46(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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