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4-Ethynyl-N,N-dimethylaniline

4-Ethynyl-N,N-dimethylaniline - CAS 17573-94-3

Catalog:	BB013163
Product Name:	4-Ethynyl-N,N-dimethylaniline
CAS:	17573-94-3
Synonyms:	4-ethynyl-N,N-dimethylaniline

Technical Data

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Computed Properties

IUPAC Name:	4-ethynyl-N,N-dimethylaniline
Description:	4-Ethynyl-N,N-dimethylaniline (CAS# 17573-94-3) is a useful research chemical.
Molecular Weight:	145.20
Molecular Formula:	C10H11N
Canonical SMILES:	CN(C)C1=CC=C(C=C1)C#C
InChI:	InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3
InChI Key:	ZWMAYLMVFSCMMS-UHFFFAOYSA-N
Boiling Point:	227.9 °C at 760 mmHg
Melting Point:	49-53 °C (lit.)
Purity:	95 %
Density:	0.98 g/cm³
MDL:	MFCD00168816
LogP:	1.73390

Publication Number	Title	Priority Date
CN-113354511-A	Synthesis method of gem-1, 3-eneyne compound	20210609
CN-112175171-A	Novel donor-acceptor polymer functionalized photoacoustic developer and preparation method thereof	20200920
CN-111944327-A	Near-infrared absorption dye applied to liquid crystal system and preparation method thereof	20200830
CN-111522200-A	Negative PSPI resin for 12-inch silicon wafer and preparation method and application thereof	20200407
WO-2021187481-A1	Photosensitive insulating film-forming composition	20200318

PMID	Publication Date	Title	Journal
23034533	20121121	Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities	Organic & biomolecular chemistry
21365103	20110421	A ratiometric near-infrared pH-responsive fluorescent dye based on distyryl BODIPY	Organic & biomolecular chemistry
21399772	20110421	The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile	Physical chemistry chemical physics : PCCP
21399785	20110421	Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalised 6,6-dicyanopentafulvene with an intense, low-energy charge-transfer band	Chemical communications (Cambridge, England)
21174419	20110210	Combined experimental and computational study of intramolecular charge transfer in p-N,N-dimethylamino-p'-cyano-diphenylacetylene	The journal of physical chemistry. A

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.089149355
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.089149355
Rotatable Bond Count:	2
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7