4-(N-(5-Methoxychroman-3-yl)-N-propylamino)butyl-8-azaspiro(4,5)decane-7,9-dione

Base Information

• Chemical Name: 4-(N-(5-Methoxychroman-3-yl)-N-propylamino)butyl-8-azaspiro(4,5)decane-7,9-dione
• CAS No.: 143413-68-7
• Molecular Formula: C26H38 N2 O4 . Cl H
• Molecular Weight: 479.06
• DSSTox Substance ID: DTXSID90931874
• Wikipedia: Alnespirone
• Mol file: 143413-68-7.mol

Synonyms:(+)-(S)-N-(4-((5-methoxy-3-chromanyl)propylamino)butyl)-1,1-cyclopentanediacetimide;(+)-4-N-(5-methoxychromane-3-yl) N-propylaminobutyl-8-azapiro 4,5-decane-7,9-dione hydrochloride;(-)-4-N-(5-methoxychromane-3-yl) N-propylaminobutyl-8-azapiro 4,5-decane-7,9-dione hydrochloride;4-(N-(5-methoxychroman-3-yl)-N-propylamino)butyl-8-azaspiro(4,5)decane-7,9-dione;4-N-(5-methoxychromane-3-yl) N-propylaminobutyl-8-azapiro 4,5-decane-7,9-dione hydrochloride;8-(4-(N-(5-methoxychroman-3-yl)-N-propyl)aminobutyl)-8-azaspiro(4,5)decane-7,9-dione;alnespirone;S 20244;S 20499;S 20500;S-20244;S-20499;S-20500;S20244

Chemical Property of 4-(N-(5-Methoxychroman-3-yl)-N-propylamino)butyl-8-azaspiro(4,5)decane-7,9-dione

Chemical Property:

• Vapor Pressure: 9.26E-16mmHg at 25°C
• Boiling Point: 629.5°Cat760mmHg
• Flash Point: 334.5°C
• PSA: 59.08000
• Density: g/cm³
• LogP: 4.94020
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 478.2598354
• Heavy Atom Count: 33
• Complexity: 628

Purity/Quality:

99%min ^*data from raw suppliers

(+)-(S)-N -[4-[(5-META ETHOXY-3-CHROMANYL )PROPYLAM INO]BUTYL ]-1,1-CYC LOPENTANE DIACETAMI DE HYDROC HLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3.Cl
• Isomeric SMILES: CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]3CC4=C(C=CC=C4OC)OC3.Cl