Basic information
- CAS
58893-38-2- Standard SMILES
CNCc1cc(=O)[nH]o1- InChIKey
APZVGCQAWIFTFI-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.0585775
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Methylmuscimol
- IUPAC
- 5-(methylaminomethyl)-1,2-oxazol-3-one
- English name
- N-methylmuscimol
- Molecular formula
- C5H8N2O2
- Molecular weight
- 128.13
Names & synonyms
N-Methylmuscimol58893-38-2DTXSID30207626RefChem:163859DTXCID80130117637-386-0SCHEMBL10196240SCHEMBL12605405AKOS0063547903(2H)-Isoxazolone, 5-((methylamino)methyl)-5-[(Methylamino)methyl]-1,2-oxazol-3(2H)-one3(2H)-Isoxazolone, 5-[(methylamino)methyl]-
Database identifiers
- CAS
58893-38-2- PubChem CID
- 3047784
- DTXSID
DTXSID30207626- EC Number
- 637-386-0
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Density
- 1.165 · 1.165±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.592 · 12.592±0.10(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H300-H310
- Precautionary statements
- 262 · P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-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
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H330-H300-H310
- Precautionary statements
- P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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