1-Nonyne - CAS 3452-09-3

Catalog:	BB022164
Product Name:	1-Nonyne
CAS:	3452-09-3
Synonyms:	non-1-yne

Technical Data

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Computed Properties

IUPAC Name:	non-1-yne
Description:	1-Nonyne (CAS# 3452-09-3) is a useful building block for preparing pyrrole derivatives as ACC inhibitors.
Molecular Weight:	124.22
Molecular Formula:	C9H16
Canonical SMILES:	CCCCCCCC#C
InChI:	InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3
InChI Key:	OSSQSXOTMIGBCF-UHFFFAOYSA-N
Boiling Point:	150-151 °C
Density:	0.758 g/cm³
Appearance:	Colorless liquid with an odor like petrol
MDL:	MFCD00009567
LogP:	2.98010
Vapor Pressure:	6.26 [mmHg]

Publication Number	Title	Priority Date
CN-112079679-A	Asymmetric total synthesis method of sex pheromone (R, Z) -21-methyl-8-thirty-five carbene of longicorn	20200901
WO-2021206614-A1	A method for multiplexed detection of a plurality of target biomolecules	20200406
EP-3881766-A1	Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal	20200319
US-2021307665-A1	Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal	20200319
WO-2021183922-A1	Stabilization of carbon deposition precursors like c2h2	20200313

PMID	Publication Date	Title	Journal
19193044	20090305	De novo asymmetric synthesis of cladospolide B-D: structural reassignment of cladospolide D via the synthesis of its enantiomer	Organic letters
18342025	20080201	[Comparative study of the anatomic and clinical effect of Weaver or subtotal subscapularis tendon section in Latarjet procedure]	Revue de chirurgie orthopedique et reparatrice de l'appareil moteur
17967195	20071029	An asymmetric synthesis of all stereoisomers of piclavines A1-4 using an iterative asymmetric dihydroxylation	Beilstein journal of organic chemistry
16292804	20051125	Adducts of thianthrene- and phenoxathiin cation radical tetrafluoroborates to 1-alkynes. Structures and formation of 1-(5-thianthreniumyl)- and 1-(10-phenoxathiiniumyl)alkynes on alumina leading to alpha-ketoylides and alpha-ketols	The Journal of organic chemistry
15656578	20050101	Structure-photodynamic activity relationships of substituted zinc trisulfophthalocyanines	Bioconjugate chemistry

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	83.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.125200510
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.125200510
Rotatable Bond Count:	5
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4