4-Methyl-3-phenylisoxazol-5-amine - CAS 4320-84-7
Catalog: |
BB025369 |
Product Name: |
4-Methyl-3-phenylisoxazol-5-amine |
CAS: |
4320-84-7 |
Synonyms: |
4-methyl-3-phenyl-1,2-oxazol-5-amine |
IUPAC Name: | 4-methyl-3-phenyl-1,2-oxazol-5-amine |
Description: | 4-Methyl-3-phenylisoxazol-5-amine (CAS# 4320-84-7) is a useful research chemical. |
Molecular Weight: | 174.20 |
Molecular Formula: | C10H10N2O |
Canonical SMILES: | CC1=C(ON=C1C2=CC=CC=C2)N |
InChI: | InChI=1S/C10H10N2O/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 |
InChI Key: | MASUVUIWOXJJKH-UHFFFAOYSA-N |
Boiling Point: | 354.1 °C at 760 mmHg |
Density: | 1.166 g/cm3 |
MDL: | MFCD06255252 |
LogP: | 2.81340 |
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: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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