3H-7,13b-Methano(1,3)benzodioxolo(5,6-e)(2)benzazocin-3-one, 5,6,7,8-tetrahydro-2-methoxy-, hydrochloride, (+-)-, hydrate (2:2:1)

Base Information

• Chemical Name: 3H-7,13b-Methano(1,3)benzodioxolo(5,6-e)(2)benzazocin-3-one, 5,6,7,8-tetrahydro-2-methoxy-, hydrochloride, (+-)-, hydrate (2:2:1)
• CAS No.: 75370-49-9
• Molecular Formula: C18H17 N O4 . Cl H
• Molecular Weight: 365.811
• DSSTox Substance ID: DTXSID90996822
• Mol file: 75370-49-9.mol

Synonyms:75370-49-9;3H-7,13b-Methano(1,3)benzodioxolo(5,6-e)(2)benzazocin-3-one, 5,6,7,8-tetrahydro-2-methoxy-, hydrochloride, (+-)-, hydrate (2:2:1);C18H17NO4.ClH.1/2H2O;C18-H17-N-O4.Cl-H.1/2H2-O;DTXSID90996822;LS-90709;2-Methoxy-5,6,7,8-tetrahydro-3H,11H-7,13b-methanobenzo[c][1,3]benzodioxolo[5,6-e]azocin-3-one--hydrogen chloride (1/1)

Chemical Property of 3H-7,13b-Methano(1,3)benzodioxolo(5,6-e)(2)benzazocin-3-one, 5,6,7,8-tetrahydro-2-methoxy-, hydrochloride, (+-)-, hydrate (2:2:1)

Chemical Property:

• Vapor Pressure: 2.27E-12mmHg at 25°C
• Boiling Point: 555.3°C at 760 mmHg
• Flash Point: 289.6°C
• PSA: 56.79000
• LogP: 2.74130
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 347.0924357
• Heavy Atom Count: 24
• Complexity: 612

Purity/Quality:

(+/-)-5,6,7,8-TETRAHYDRO-2-METHOXY-3H-7,13B-METHANO-(1,3)-BENZODIOXOLO-(5,6-E)-(2)-BENZAZOCIN-3-ONE HYDROCHLORIDE HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC23CC(CC4=CC5=C(C=C42)OCO5)NCC3=CC1=O.Cl