(S)-2-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Base Information

• Chemical Name: (S)-2-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• CAS No.: 936213-74-0
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.23
• DSSTox Substance ID: DTXSID80360235
• Nikkaji Number: J729.411E,J729.412C
• Mol file: 936213-74-0.mol

Synonyms:936213-74-0;(S)-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID;(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;AC1LLXRV;SCHEMBL13971489;DTXSID80360235;AKOS006318922;EN300-2712979;(3S)-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Chemical Property of (S)-2-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.77E-05mmHg at 25°C
• Boiling Point: 343°C at 760 mmHg
• Flash Point: 161.3°C
• PSA: 40.54000
• Density: 1.198g/cm³
• LogP: 1.06560
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC2=CC=CC=C2CC1C(=O)O
• Isomeric SMILES: CN1CC2=CC=CC=C2C[C@H]1C(=O)O