1-(5-Isopropyl-3-isoxazolyl)methanamine - CAS 154016-49-6
Catalog: |
BB010962 |
Product Name: |
1-(5-Isopropyl-3-isoxazolyl)methanamine |
CAS: |
154016-49-6 |
Synonyms: |
(5-propan-2-yl-1,2-oxazol-3-yl)methanamine |
IUPAC Name: | (5-propan-2-yl-1,2-oxazol-3-yl)methanamine |
Description: | 1-(5-Isopropyl-3-isoxazolyl)methanamine (CAS# 154016-49-6) is a useful research chemical. |
Molecular Weight: | 140.18 |
Molecular Formula: | C7H12N2O |
Canonical SMILES: | CC(C)C1=CC(=NO1)CN |
InChI: | InChI=1S/C7H12N2O/c1-5(2)7-3-6(4-8)9-10-7/h3,5H,4,8H2,1-2H3 |
InChI Key: | MSEXFKQRZBKWIM-UHFFFAOYSA-N |
Boiling Point: | 233.1 °C at 760 mmHg |
Density: | 1.034 g/cm3 |
MDL: | MFCD11053996 |
LogP: | 2.75900 |
Publication Number | Title | Priority Date |
AU-2014304046-A1 | Benzimidazolyl-methyl urea derivatives as ALX receptor agonists | 20130809 |
AU-2014304046-B2 | Benzimidazolyl-methyl urea derivatives as ALX receptor agonists | 20130809 |
CA-2917954-A1 | Benzimidazolyl-methyl urea derivatives as alx receptor agonists | 20130809 |
EP-3030560-A1 | Benzimidazolyl-methyl urea derivatives as alx receptor agonists | 20130809 |
EP-3030560-B1 | Benzimidazolyl-methyl urea derivatives as alx receptor agonists | 20130809 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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