N- Methoxyadamantan- 2- imine - CAS 76300-15-7
Catalog: |
BB058875 |
Product Name: |
N- Methoxyadamantan- 2- imine |
CAS: |
76300-15-7 |
Synonyms: |
N-methoxyadamantan-2-imine; (1r,3r,5r,7s)-adamantan-2-one o-methyl oxime; 2-adamantanone O-methyloxime; O-methyl 2-adamantanone oxime; Adamantane-2-one O-methyloxime |
IUPAC Name: | N-methoxyadamantan-2-imine |
Description: | N- Methoxyadamantan- 2- imine is an intermediate for the synthesis of Arterolane p-Toluenesulfonic Acid (A614161), which is an antimalaria agent. |
Molecular Weight: | 179.26 |
Molecular Formula: | C11H17NO |
Canonical SMILES: | CON=C1C2CC3CC(C2)CC1C3 |
InChI: | InChI=1S/C11H17NO/c1-13-12-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-10H,2-6H2,1H3 |
InChI Key: | COPCAFIJNXYIDM-UHFFFAOYSA-N |
References: | Valecha, N., et al.: Clin Infect Dis. 55, 663 (2012); Patil, C. Y., et al.: Ann Med Health Sci Res. 4, 466 (2014). |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.131014166 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 21.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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