5-(Aminomethyl)-3-isopropylisoxazole - CAS 543713-30-0
Catalog: |
BB028621 |
Product Name: |
5-(Aminomethyl)-3-isopropylisoxazole |
CAS: |
543713-30-0 |
Synonyms: |
(3-propan-2-yl-5-isoxazolyl)methanamine; (3-propan-2-yl-1,2-oxazol-5-yl)methanamine |
IUPAC Name: | (3-propan-2-yl-1,2-oxazol-5-yl)methanamine |
Description: | C-(3-Isopropyl-isoxazol-5-yl)-methylamine acts as a reagent for the design, synthesis, and herbicidal activities of novel 2-cyanoacrylates containing isoxazole moieties. Synthesis of 3-substituted analogs of tenuazonic acid and their herbicidal, fungicidal, and insecticidal activities. |
Molecular Weight: | 140.18 |
Molecular Formula: | C7H12N2O |
Canonical SMILES: | CC(C)C1=NOC(=C1)CN |
InChI: | InChI=1S/C7H12N2O/c1-5(2)7-3-6(4-8)10-9-7/h3,5H,4,8H2,1-2H3 |
InChI Key: | MKXNIPKWBZUUAJ-UHFFFAOYSA-N |
Boiling Point: | 233.1 ℃ at 760 mmHg |
Density: | 1.034 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD07643181 |
LogP: | 2.75900 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020085810-A1 | Compounds for use in treating kidney disorders | 20180726 |
WO-2020021097-A1 | Compounds for use in treating kidney disorders | 20180726 |
AU-2019310919-A1 | Compounds for use in treating kidney disorders | 20180726 |
EP-3826679-A1 | Compounds for use in treating kidney disorders | 20180726 |
US-2021275514-A1 | Compounds for use in treating kidney disorders | 20180726 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Isoxazoles
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