syn-Benzaldoxime - CAS 622-31-1
Catalog: |
BB031469 |
Product Name: |
syn-Benzaldoxime |
CAS: |
622-31-1 |
Synonyms: |
0 |
IUPAC Name: | (NE)-N-benzylidenehydroxylamine |
Description: | An antioxidant. |
Molecular Weight: | 121.14 |
Molecular Formula: | 0 |
Canonical SMILES: | 0 |
InChI: | 0 |
InChI Key: | 0 |
Boiling Point: | 104 °C / 6 mmHg (lit.) |
Purity: | 95 % |
Appearance: | White solid |
LogP: | 1.49470 |
Vapor Pressure: | 0.0041 [mmHg] |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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WO-2021117053-A1 | An improved process for preparation of pure aldoxime | 20191212 |
PMID | Publication Date | Title | Journal |
19569683 | 20090729 | Imino-oxy acetic acid dealkylation as evidence for an inner-sphere alcohol intermediate in the reaction catalyzed by peptidylglycine alpha-hydroxylating monooxygenase | Journal of the American Chemical Society |
19462966 | 20090618 | Cucurbituril-mediated supramolecular acid catalysis | Organic letters |
18232646 | 20080301 | Design and synthesis of propeller-shaped dispiroisoxazolinopiperidinochromanones | Journal of combinatorial chemistry |
17477578 | 20070525 | Mechanistic aspects of the formation of aldehydes and nitriles in photosensitized reactions of aldoxime ethers | The Journal of organic chemistry |
16522116 | 20060315 | Cytochrome P450-catalyzed oxidation of N-benzyl-N-cyclopropylamine generates both cyclopropanone hydrate and 3-hydroxypropionaldehyde via hydrogen abstraction, not single electron transfer | Journal of the American Chemical Society |
Complexity: | 95.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 121.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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