N-Hydroxyurethane - CAS 589-41-3
Catalog: |
BB030212 |
Product Name: |
N-Hydroxyurethane |
CAS: |
589-41-3 |
Synonyms: |
ethyl N-hydroxycarbamate |
IUPAC Name: | ethyl N-hydroxycarbamate |
Description: | N-Hydroxyurethane (CAS# 589-41-3) is a metabolite of carcinogenic Urethane (U825300). |
Molecular Weight: | 105.09 |
Molecular Formula: | C3H7NO3 |
Canonical SMILES: | CCOC(=O)NO |
InChI: | InChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5) |
InChI Key: | VGEWEGHHYWGXGG-UHFFFAOYSA-N |
Boiling Point: | 113-116 °C (3 mmHg) |
Density: | 1.196 g/cm3 |
MDL: | MFCD00002108 |
LogP: | 0.51260 |
GHS Hazard Statement: | H302 (100%): 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 |
Publication Number | Title | Priority Date |
KR-102259681-B1 | Self-contained dry waterproofing system using improved composite sheet | 20210105 |
CN-111766211-A | Method for measuring content of phenolic hydroxyl in polymer | 20200714 |
GB-202014656-D0 | Modified hydroxyl alkyl urethane, epoxy amine hydroxyl urethane composition and method of production | 20200628 |
CN-111484613-A | Temperature-sensitive non-isocyanate polyurethane and preparation method and application thereof | 20200609 |
US-2021292463-A1 | Dynamic polyurethane networks with post-recycling retention of cross-linking densities and mechanical properties | 20200318 |
PMID | Publication Date | Title | Journal |
22221539 | 20120105 | Novel water-soluble polyurethane nanomicelles for cancer chemotherapy: physicochemical characterization and cellular activities | Journal of nanobiotechnology |
21442192 | 20110401 | Enhanced antibacterial effect of silver nanoparticles obtained by electrochemical synthesis in poly(amide-hydroxyurethane) media | Journal of materials science. Materials in medicine |
12477346 | 20021219 | NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability | Journal of medicinal chemistry |
12208357 | 20020901 | Metabolism of carcinogenic urethane to nitric oxide is involved in oxidative DNA damage | Free radical biology & medicine |
4069149 | 19851101 | Microsome- and hepatocyte-mediated mutagenicity of hydroxyurea and related aliphatic hydroxamic acids in V79 Chinese hamster cells | Mutation research |
Complexity: | 63.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 105.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 105.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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