CAS 1401026-79-6 Trv-0109662 (HCID 68314401)

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Basic information

CAS: 1401026-79-6
Standard SMILES: NCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIKey: IJVNQJHHXLTQFV-OAHLLOKOSA-N
Molecular formula: C16H24N2O
Average molar mass: 260.37 g/mol
Monoisotopic mass: 260.18886339

Names & identifiers

Preferred name: Trv-0109662
IUPAC: 2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
English name: OLIC-007
Molecular formula: C16H24N2O
Molecular weight: 260.37

Names & synonyms

UNII-TEG0D9299TTEG0D9299T(9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-ethanamineTRV0109662TRV-0109662(9R)-9-(2-Pyridinyl)-6-oxaspiro(4.5)decane-9-ethanamine6-Oxaspiro(4.5)decane-9-ethanamine, 9-(2-pyridinyl)-, (9R)-6-Oxaspiro[4.5]decane-9-ethanamine, 9-(2-pyridinyl)-, (9R)-RefChem:2033951401026-79-6(R)-2-(9-(Pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)ethan-1-amine2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethan-1-amine

Show more names

OLIC-007Foscarbidopa Impurity 28

(R)-2-(9-(Pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)ethanaminestarbld0004483SCHEMBL12542353SCHEMBL29564790IJVNQJHHXLTQFV-OAHLLOKOSA-NDTXSID1012062322-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine2-[(9R)-9-(2-pyridyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine

Database identifiers

CAS: 1401026-79-6
PubChem CID: 68314401
DTXSID: DTXSID101206232
UNII: TEG0D9299T

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 301

Physicochemical properties

Boiling point: 411.5 · 411.5±25.0 °C(Predicted)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
solubility: DMSO (Slightly), Methanol (Slightly, Sonicated)
pka: 10.42 · 10.42±0.10(Predicted)
form: Oil
color: Colourless to Pale Yellow
FDA UNII: 0 D9299T · TEG0D9299T

Chemistry & industry

Applications · 1 item

Uses(9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-ethanamine is an intermediate in the synthesis of (R)-N-(Naphthalen-2-ylmethyl)-2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)ethanamine (N359276), which is an intermediate for the synthesis of opioid receptor ligands and use in cytochrome p 450 inhibitors for the treatment of pain.