4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline

Base Information

• Chemical Name: 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
• CAS No.: 217191-31-6
• Molecular Formula: C17H20 N2 O2
• Molecular Weight: 284.35
• DSSTox Substance ID: DTXSID10383876
• Nikkaji Number: J2.278.597D
• ChEMBL ID: CHEMBL466678
• Mol file: 217191-31-6.mol

Synonyms:217191-31-6;4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline;Benzenamine,4-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-;Maybridge1_000580;HMS543C08;Oprea1_077365;CHEMBL466678;DTXSID10383876;4-(6,7-Dimethoxy-1,2,3,4-tetrahydro isoquinolin-1-yl)aniline;FT-0708367;W-206674;4-(1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-1-yl)aniline

Chemical Property of 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline

Chemical Property:

• Vapor Pressure: 1.59E-08mmHg at 25°C
• Melting Point: 151-153 °C(Solv: water (7732-18-5))
• Refractive Index: 1.594
• Boiling Point: 456.6°Cat760mmHg
• PKA: 8.69±0.40(Predicted)
• Flash Point: 230°C
• PSA: 56.51000
• Density: 1.152g/cm³
• LogP: 3.43110
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 284.152477885
• Heavy Atom Count: 21
• Complexity: 331

Purity/Quality:

98.5% ^*data from raw suppliers

4-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)N)OC