2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile - CAS 59577-32-1
Catalog: |
BB030426 |
Product Name: |
2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile |
CAS: |
59577-32-1 |
Synonyms: |
[(E)-[cyano(phenyl)methylidene]amino] (4-methoxyphenyl)methyl carbonate |
IUPAC Name: | [[cyano(phenyl)methylidene]amino] (4-methoxyphenyl)methyl carbonate |
Description: | 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile (CAS# 59577-32-1 ) is a useful research chemical. |
Molecular Weight: | 310.30 |
Molecular Formula: | C17H14N2O4 |
Canonical SMILES: | COC1=CC=C(C=C1)COC(=O)ON=C(C#N)C2=CC=CC=C2 |
InChI: | InChI=1S/C17H14N2O4/c1-21-15-9-7-13(8-10-15)12-22-17(20)23-19-16(11-18)14-5-3-2-4-6-14/h2-10H,12H2,1H3/b19-16- |
InChI Key: | IPRBOQUKBZNCAG-MNDPQUGUSA-N |
Boiling Point: | 445.1 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
Appearance: | White powder or fibers |
MDL: | MFCD00134481 |
LogP: | 3.27628 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2945957-A1 | Novel water-soluble complexing agents and corresponding lanthanide complexes | 20130116 |
US-2015361116-A1 | Novel water-soluble complexing agents and corresponding lanthanide complexes | 20130116 |
US-9920082-B2 | Water-soluble complexing agents and corresponding lanthanide complexes | 20130116 |
WO-2014111661-A1 | Novel water-soluble complexing agents and corresponding lanthanide complexes | 20130116 |
EP-2734518-A1 | Novel complexing agents and corresponding lanthanide complexes | 20110718 |
Complexity: | 455 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.09535693 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 80.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 3.8 |
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