Completing data — usually done within a minute
Basic information
- Standard SMILES
C#CC1(OC(N)=O)CCCCC1- InChIKey
GXRZIMHKGDIBEW-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.208 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- Ethinamate
- IUPAC
- 1-Ethynylcyclohexyl carbamate
- English name
- ETHINAMATE
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
ValmidValaminVolaminValaminaEthinamatEtinamateusafel-42ValmidateETHINAMATEEthinimate
Database identifiers
- CAS
126-52-3- PubChem CID
- 3284
- DTXSID
DTXSID7023013- ChEMBL
CHEMBL1576- ChEBI
CHEBI:4884- UNII
- IAN371PP48
- EC Number
- 204-789-4
- Nikkaji
- J2.513E
Properties
Physicochemical properties
- Melting point
- 96 · 96-98°
- Boiling point
- 3 · bp3 118-122°
- Density
- 1.1222 · 1.1222 (rough estimate)
- refractive index
- 21.5 · nD21.5 1.4441 (20% in propylene glycol)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.4 · 13.40±0.50(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 371 PP48 · IAN371PP48
- EPA Substance Registry System
- 1 · Cyclohexanol, 1-ethynyl-, carbamate (126-52-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- T,Xn
- Risk Statements
- 23 · 23/24/25-22
- Safety Statements
- 22 · 22-36/37/39-45
- RTECS
- 9275000 · GV9275000
- TSCA
- TSCA listed
- Hazardous Substances Data
- 126 · 126-52-3(Hazardous Substances Data)
Safety & regulation
Safety data
- tsca
- TSCA listed
- rtecs
- GV9275000
- risk_code
- 23/24/25-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xn
- safety_code
- 22-36/37/39-45
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
- Hazardous Substances Data
- 126-52-3(Hazardous Substances Data)
Chemistry & industry
Applications
UsesEthinamate (E890730) is a an active central nervous system depressant used in the treatment of insomnia.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A carbamate ester that is the 1-vinylcyclohexyl ester of carbamic acid. A short-acting sedative-hypnotic, it was formerly used to treat insomnia.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…