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Basic information
- CAS
3567-38-2- Standard SMILES
C#CC(OC(N)=O)c1ccccc1- InChIKey
MTTYXGPMZKRTCI-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.187 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 1-Phenyl-2-propynyl carbamate
- IUPAC
- 1-Phenylprop-2-yn-1-yl carbamate
- English name
- Carfimate
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
NirvotinCarfimatCarfimateα-Ethynylbenzyl carbamate1-phenylprop-2-ynyl carbamatePhenylethynylcarbinol carbamatecarbamic acid 1-phenylprop-2-ynyl esterBenzenemethanol, α-ethynyl-, 1-carbamate
Database identifiers
- CAS
3567-38-2- PubChem CID
- 19111
- DTXSID
DTXSID70863200- ChEMBL
CHEMBL2105609- ChEBI
CHEBI:134809- UNII
- X9N1XKR2OS
- EC Number
- 985-353-7
- Nikkaji
- J8.153A
Properties
Physicochemical properties
- Melting point
- 86 · 86-87°
- Boiling point
- 306.47 °C · 306.47°C (rough estimate)
- Density
- 1.1999 · 1.1999 (rough estimate)
- refractive index
- 1.546 · 1.5460 (estimate)
- pka
- 12.77 · 12.77±0.50(Predicted)
- FDA UNII
- 9 N1XKR2OS · X9N1XKR2OS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesPhenylethynylcarbinol carbamate is a agent used for neurology disease[1]. Phenylethynylcarbinol carbamate is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: Carfimate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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