Hex-4-yn-1-ol
Basic information
- CAS
928-93-8- Standard SMILES
CC#CCCCO- InChIKey
VNUUMNNQQSAYCU-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- Hex-4-yn-1-ol
- IUPAC
- hex-4-yn-1-ol
- English name
- Hex-4-yn-1-ol
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
Hex-4-yn-1-ol928-93-84-Hexyn-1-olEINECS 213-189-1DTXSID30239149RefChem:784373DTXCID00161640213-189-1MFCD162511114-Hextyn-1-olSCHEMBL713946SCHEMBL713947
Show more names
HEX-4-YN-1-OL(WXC08630)(3S)-3-[[2-[[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(1S)-1-carboxy-2-phenylethyl]amino]-oxom
SCHEMBL6083962SCHEMBL7369354VNUUMNNQQSAYCU-UHFFFAOYSA-NAAA92893AKOS011888701AS-56489CS-0047308NS00042161
Database identifiers
- CAS
928-93-8- PubChem CID
- 70235
- DTXSID
DTXSID30239149- EC Number
- 213-189-1
- Nikkaji
- J298.504G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 82.8
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- -34 °C · -34°C (estimate)
- Boiling point
- 153.68 °C · 153.68°C (rough estimate)
- Density
- 0.8339 · 0.8339 (estimate)
- refractive index
- 1.4325 · 1.4325 (estimate)
- pka
- 14.88 · 14.88±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H227-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-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
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H227-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Applications
DescriptionHex-4-yn-1-ol is a chitinase inhibitor. Hex-4-yn-1-ol inhibits protein kinase activity that regulates cell growth and division.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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