3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde

Base Information

• Chemical Name: 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde
• CAS No.: 61563-02-8
• Molecular Formula: C13H15 N O3
• Molecular Weight: 233.2631
• European Community (EC) Number: 262-843-2
• DSSTox Substance ID: DTXSID70977154
• Nikkaji Number: J279.658I
• Mol file: 61563-02-8.mol

Synonyms:61563-02-8;EINECS 262-843-2;3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde;SCHEMBL10592667;DTXSID70977154;3,4-Dihydro-5-(oxiranylmethoxy)-2(1H)-isoquinolinecarbaldehyde;5-[(Oxiran-2-yl)methoxy]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

Chemical Property of 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.1E-08mmHg at 25°C
• Boiling Point: 461.1°C at 760 mmHg
• Flash Point: 232.7°C
• PSA: 42.07000
• Density: 1.308g/cm³
• LogP: 1.55250
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.10519334
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=C1C(=CC=C2)OCC3CO3)C=O