CAS 196597-80-5 2-[(8S)-1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethanamine hydrochloride (1:1) (HCID 45358779)

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Basic information

CAS: 196597-80-5
Standard SMILES: Cl.NCC[C@@H]1CCc2ccc3c(c21)CCO3
InChIKey: PTRBVFJPGFTDDU-PPHPATTJSA-N
Molecular formula: C13H18ClNO
Average molar mass: 239.746 g/mol
Monoisotopic mass: 239.10769188

Names & identifiers

Preferred name: 2-[(8S)-1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethanamine hydrochloride (1:1)
IUPAC: 2-[(8S)-1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethan-1-amine--hydrogen chloride (1/1)
English name: Despropionyl Ramelteon Hydrochloride
Molecular formula: C13H17NO
Molecular weight: 203.28018

Names & synonyms

EOS-62281Ramelteon Impurity 5 HClRamelteon Impurity 15 HClRamelteon Despropionyl ImpurityRamelteon Impurity 15 HydrochlorideDespropionyl Ramelteon Hydrochloride2-[(8S)-1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethana...(S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethan-1-amine(S)-2-(1,2,7,8-Tetrahydro-6H-indeno[5,4-b]furan-8-yl)-ethylamine HCl(8S)-1,6,7,8-Tetrahydro-2H-Indeno[5,4-b]furan-8-ethanamine hydrochloride

Database identifiers

CAS: 196597-80-5
PubChem CID: 45358779
DTXSID: DTXSID001335307

Properties

Physicochemical properties

Melting point: 270 ℃ · 270℃
storage temp.: 2 · 2-8°C, stored under nitrogen
solubility: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
form: Oil
color: Colourless
InChI: InChI=1/C13H17NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h3-4,10H,1-2,5-8,14H2/t10-/s3
InChIKey: BFNUHWYOQCGTCA-JQHDBZEONA-N
SMILES: c1cc2CC[C@@H](CCN)c2c2CCOc12 |&1:5,r|
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338