4-(Aminomethyl)-cyclohexanone Hydrochloride - CAS 1205750-10-2
Catalog: |
BB074632 |
Product Name: |
4-(Aminomethyl)-cyclohexanone Hydrochloride |
CAS: |
1205750-10-2 |
Synonyms: |
4-Aminomethylcyclohexanone Hydrochloride |
IUPAC Name: | 4-(aminomethyl)cyclohexan-1-onehydrochloride |
Description: | 4-(Aminomethyl)-cyclohexanone Hydrochloride is used to prepare dispiro-1,2,4-trioxolanes with antimalarial activities. It is also used to synthesize aminopyrimidines as SYK inhibitors useful in the treatment of SYK-mediated diseases. |
Molecular Weight: | 127.18 + 36.46 |
Molecular Formula: | C7H13NO·HCl |
Canonical SMILES: | C1CC(=O)CCC1CN.Cl |
InChI: | InChI=1S/C7H13NO.ClH/c8-5-6-1-3-7(9)4-2-6/h6H,1-5,8H21H |
InChI Key: | PJPWFRAEBRUTLF-UHFFFAOYSA-N |
Melting Point: | 118 -121 °C |
Solubility: | DMSO (Sparingly, Sonicated), Methanol (Slightly) |
Appearance: | Off-White to Light Brown Solid |
Storage: | 4°C, Hygroscopic |
References: | Tang, Y., et al. Bioorg. Med. Chem. Lett., 17, 1260 (2007); Altman, M., et al. PCT Int. Appl. (2011), WO 2011075515 A1 20110623. |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0763918 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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