4,5-Dimethylisoxazol-3-amine - CAS 13999-39-8
Catalog: |
BB009013 |
Product Name: |
4,5-Dimethylisoxazol-3-amine |
CAS: |
13999-39-8 |
Synonyms: |
4,5-dimethyl-1,2-oxazol-3-amine |
IUPAC Name: | 4,5-dimethyl-1,2-oxazol-3-amine |
Description: | 4,5-Dimethylisoxazol-3-amine (CAS# 13999-39-8) is an isoxazole derivative used in the preparation of a varitey of biologically active compounds such as selective ETA receptor antagonists. |
Molecular Weight: | 112.13 |
Molecular Formula: | C5H8N2O |
Canonical SMILES: | CC1=C(ON=C1N)C |
InChI: | InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7) |
InChI Key: | VPANVNSDJSUFEF-UHFFFAOYSA-N |
Boiling Point: | 250 °C at 760 mmHg |
Purity: | 95+ % |
Density: | 1.118 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD03411577 |
LogP: | 1.45480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111163761-A | Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide | 20170814 |
KR-20200052298-A | Targeted drugs related to trimethylamine and / or trimethylamine N-oxide | 20170814 |
US-2019050525-A1 | Rieske-type oxygenase/reductase targeted drugs for diagnostic and treatment of diseases | 20170814 |
JP-2020530853-A | Target agents related to trimethylamine and / or trimethylamine-N-oxide | 20170814 |
US-2021128498-A1 | Targeted drugs associated with trimethylamine and/or trimethylamine-n-oxide | 20170814 |
Complexity: | 86.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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