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 |
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 |
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 |
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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 |
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 |
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Alkynes
Amines and Anilines
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