1-Butyne

C4H6CAS 107-00-654.09 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C4H6
Molar mass
54.09 g/mol
Exact mass
54.0470 Da
Density
0.668 g/mL (at 0 °C)
Melting point
−125.7 °C
Boiling point
8 °C
logP
1.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Compressed Gas (GHS04)

Aggregated from 164 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P222, P280, P377, P381, P403, P410+P403

Identifiers

CAS number
107-00-6
SMILES
C#CCC
InChIKey
KDKYADYSIPSCCQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3

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Names and synonyms

2 names
  • Ethylacetylene
  • Ethylethyne

Work with 1-Butyne

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Pentyne627-19-044 % similar 1,5-Hexadiyne628-16-040 % similar 1-Hexyne693-02-740 % similar 3-Hexyne928-49-440 % similar 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-638 % similar Diethylpropargylamine4079-68-938 % similar 1-Heptyne628-71-738 % similar 1-Undecyne2243-98-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butadiene106-99-0 Bicyclobutane157-33-5 1-Methylcyclopropene3100-04-7 2-Butyne503-17-3 1,2-Butadiene590-19-2 Cyclobutene822-35-5

Elsewhere

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