1-Tetradecyne - CAS 765-10-6

Catalog:	BB035593
Product Name:	1-Tetradecyne
CAS:	765-10-6
Synonyms:	tetradec-1-yne

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Computed Properties

IUPAC Name:	tetradec-1-yne
Description:	1-Tetradecyne (CAS# 765-10-6) is used in addition reactions of alkynes like hydrogenation, halogenation, hydrohalogenation, hydration reactions and others.
Molecular Weight:	194.36
Molecular Formula:	C14H26
Canonical SMILES:	CCCCCCCCCCCCC#C
InChI:	InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3
InChI Key:	DZEFNRWGWQDGTR-UHFFFAOYSA-N
Boiling Point:	132-134 °C at 14 mmHg
Purity:	97.0 %
Density:	0.790 g/mL at 20 °C (lit.)
Appearance:	Colourless to light yellow liquid
MDL:	MFCD00015076
LogP:	4.93060

Publication Number	Title	Priority Date
WO-2021187992-A1	Synthesis of capsaicin derivatives	20200320
WO-2020245297-A1	Pyrrole derivatives as acc inhibitors	20190606
US-2020347493-A1	Reverse Selective Deposition	20190505
JP-2020128353-A	Process for producing benzene derivative from alkyne and alkene using metal compounds of early period	20190208
CN-109651174-A	Organic electroluminescent compounds, luminescent material and organic electroluminescence device	20190123

PMID	Publication Date	Title	Journal
22441806	20120721	Electronic conductivity of alkyne-capped ruthenium nanoparticles	Nanoscale
20527744	20100702	Asymmetric synthesis of D-ribo-phytosphingosine from 1-tetradecyne and (4-methoxyphenoxy)acetaldehyde	The Journal of organic chemistry
16143955	20050901	Total synthesis and further scrutiny of the in vitro antifungal activity of 6-nonadecynoic acid	Archiv der Pharmazie

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GHS Hazard Statement:	H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P301+P310, P331, P405, and P501
Signal Word:	Danger

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.203450829
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.203450829
Rotatable Bond Count:	10
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.8