Basic information
- CAS
16754-39-5- Standard SMILES
C#CCOC(N)=O- InChIKey
QVCOXWYMPCBIMH-UHFFFAOYSA-N- Molecular formula
- C4H5NO2
- Average molar mass
- 99.09 g/mol
- Monoisotopic mass
- 99.0320284
Names & identifiers
- Preferred name
- 2-Propynyl carbamate
- IUPAC
- prop-2-ynyl carbamate
- English name
- Carbamic acid 2-propynyl ester
- Molecular formula
- C4H5NO2
- Molecular weight
- 99.09
Names & synonyms
2-Propynyl carbamatePropargyl carbamate2-Propyn-1-ol, 1-carbamate2-Propyn-1-ol, carbamateCARBAMIC ACID, 2-PROPYNYL ESTERFTW4HB624CNSC 515714BRN 1745112UNII-FTW4HB624CNSC-5157141-CARBAMOYLOXY-2-PROPYNEDTXSID30168304
Show more names
Carbamic acid 2-propynyl ester
1-(CARBAMYLOXY)-2-PROPYNE4-03-00-00063 (Beilstein Handbook Reference)2-Propyn-1-ol, carbamate (8CI,9CI)RefChem:89343DTXCID1090795prop-2-ynyl carbamate16754-39-5prop-2-yn-1-yl carbamate
Database identifiers
- CAS
16754-39-5- PubChem CID
- 28031
- DTXSID
DTXSID30168304- UNII
- FTW4HB624C
- Nikkaji
- J42.815I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 43 · 43-44 °C
- Boiling point
- 115 · 115-117 °C(Press: 15 Torr)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 12.74 · 12.74±0.50(Predicted)
- FDA UNII
- 4 HB624C · FTW4HB624C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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