3-Isopropyl-5-pyrrolidin-2-ylisoxazole - CAS 1018163-28-4
Catalog: |
BB052536 |
Product Name: |
3-Isopropyl-5-pyrrolidin-2-ylisoxazole |
CAS: |
1018163-28-4 |
Synonyms: |
3-Isopropyl-5-(pyrrolidin-2-yl)isoxazole; 3-(propan-2-yl)-5-(pyrrolidin-2-yl)-1,2-oxazole; 3-(methylethyl)-5-pyrrolidin-2-ylisoxazole |
IUPAC Name: | 3-propan-2-yl-5-pyrrolidin-2-yl-1,2-oxazole |
Molecular Weight: | 180.25 |
Molecular Formula: | C10H16N2O |
Canonical SMILES: | CC(C)C1=NOC(=C1)C2CCCN2 |
InChI: | InChI=1S/C10H16N2O/c1-7(2)9-6-10(13-12-9)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3 |
InChI Key: | AOVXBLGZZGFZSD-UHFFFAOYSA-N |
Boiling Point: | 279.1±28.0 °C at 760 mmHg |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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