2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
• CAS No.: 1022919-86-3
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.253
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40389720
• Mol file: 1022919-86-3.mol

Synonyms:1022919-86-3;2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid;2-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;2-Ethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid;3-Isoquinolinecarboxylic acid, 2-ethyl-1,2,3,4-tetrahydro-;HMS1704M12;SCHEMBL12125023;DTXSID40389720;AKOS000300449;AKOS016846061;CS-0365362;FT-0763420;A851568;SR-01000325704;SR-01000325704-1;BRD-A29773074-001-01-5;2-Ethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid;2-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid

Chemical Property of 2-Ethyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

Chemical Property:

• Boiling Point: 355.4±42.0 °C(Predicted)
• PKA: 2.22±0.20(Predicted)
• PSA: 40.54000
• Density: 1.158±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 1.45570
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2=CC=CC=C2CC1C(=O)O