1-Ethynylcyclohexylamine - CAS 30389-18-5

Catalog:	BB020582
Product Name:	1-Ethynylcyclohexylamine
CAS:	30389-18-5
Synonyms:	1-ethynylcyclohexan-1-amine

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Computed Properties

IUPAC Name:	1-ethynylcyclohexan-1-amine
Description:	1-Ethynylcyclohexylamine (CAS# 30389-18-5 ) is a useful research chemical.
Molecular Weight:	123.20
Molecular Formula:	C8H13N
Canonical SMILES:	C#CC1(CCCCC1)N
InChI:	InChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2
InChI Key:	GDKOYYDQISQOMH-UHFFFAOYSA-N
Boiling Point:	162.8 °C at 760 mmHg
Purity:	95 %
Density:	0.913 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00001489
LogP:	1.98150

Publication Number	Title	Priority Date
CN-113474437-A	Silicone pressure sensitive adhesive composition, method of making and use thereof	20200115
EP-3874004-A1	Silicone pressure sensitive adhesive composition and methods for the preparation and use thereof	20200115
KR-102240167-B1	Silicone pressure-sensitive adhesive composition and its preparation and use method	20200115
US-2021309899-A1	Silicone pressure sensitive adhesive composition and methods for the preparation and use thereof	20200115
WO-2021142653-A1	Silicone pressure sensitive adhesive composition and methods for the preparation and use thereof	20200115

PMID	Publication Date	Title	Journal
21577536	20090808	N,N'-Bis(1-ethynylcyclo-hexyl)-pyro-mellitic diimide	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H226 (42.86%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.104799419
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.104799419
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1