1-(3-Tetrahydropyranyl)methanamine Hydrochloride - CAS 1159599-89-9
Catalog: |
BB003661 |
Product Name: |
1-(3-Tetrahydropyranyl)methanamine Hydrochloride |
CAS: |
1159599-89-9 |
Synonyms: |
3-oxanylmethanamine;hydrochloride; oxan-3-ylmethanamine;hydrochloride |
IUPAC Name: | oxan-3-ylmethanamine;hydrochloride |
Description: | 1-(3-Tetrahydropyranyl)methanamine Hydrochloride (CAS# 1159599-89-9) is a reagent in the synthesis of isoxazolo-pyridine derivatives which have affinity and selectivity for the GABA A α5 receptor binding site. The isoxazolo-pyridine derivatives are also used as cognitive enhancers or for the treatment of cognitive disorders like Alzheimer's disease. |
Molecular Weight: | 151.63 |
Molecular Formula: | C6H14ClNO |
Canonical SMILES: | C1CC(COC1)CN.Cl |
InChI: | InChI=1S/C6H13NO.ClH/c7-4-6-2-1-3-8-5-6;/h6H,1-5,7H2;1H |
InChI Key: | ADKXKWJPOISVRF-UHFFFAOYSA-N |
Appearance: | White to off-white crystalline powder |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 1.87400 |
GHS Hazard Statement: | H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020088442-A1 | Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor | 20181029 |
CN-112888687-A | Trifluoromethyl substituted sulfonamide selective BCL-2 inhibitors | 20181029 |
EP-3858832-A1 | Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor | 20181029 |
KR-20210086680-A | Trifluoromethyl-substituted sulfonamides as BCL-2-selective inhibitors | 20181029 |
WO-2019185025-A1 | Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor | 20180330 |
Complexity: | 65.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.0763918 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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