trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile - CAS 300364-84-5
Catalog: |
BB020419 |
Product Name: |
trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile |
CAS: |
300364-84-5 |
Synonyms: |
2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile |
IUPAC Name: | 2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile |
Description: | trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile (CAS# 300364-84-5) is a useful compound with applications in drug delivery. |
Molecular Weight: | 250.34 |
Molecular Formula: | C17H18N2 |
Canonical SMILES: | CC(=CC1=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N |
InChI: | InChI=1S/C17H18N2/c1-13(10-15(11-18)12-19)9-14-5-7-16(8-6-14)17(2,3)4/h5-10H,1-4H3/b13-9+ |
InChI Key: | OIASAVWSBWJWBR-UKTHLTGXSA-N |
Purity: | > 98.0 % (LC) (N) |
Appearance: | Light yellow powder |
LogP: | 4.36096 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22431457 | 20120301 | Mass spectrometry of rhenium complexes: a comparative study by using LDI-MS, MALDI-MS, PESI-MS and ESI-MS | Journal of mass spectrometry : JMS |
21394839 | 20110301 | MALDI-ToF analysis of polythiophene: use of trans-2-[3-(4-t-butyl-phenyl)-2-methyl- 2-propenylidene]malononitrile-DCTB-as matrix | Journal of mass spectrometry : JMS |
20857398 | 20101001 | A pitfall of using 2-[(2E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]malononitrile as a matrix in MALDI TOF MS: chemical adduction of matrix to analyte amino groups | Journal of mass spectrometry : JMS |
20435487 | 20100701 | Generation of CsI cluster ions for mass calibration in matrix-assisted laser desorption/ionization mass spectrometry | Journal of the American Society for Mass Spectrometry |
20149110 | 20100301 | From signal perception to signal transduction: ligand-induced dimeric switch of DctB sensory domain in solution | Molecular microbiology |
Complexity: | 444 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 250.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.146998583 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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