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

Base Information

• Chemical Name: (S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
• CAS No.: 92932-74-6
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.20
• DSSTox Substance ID: DTXSID70918865
• Nikkaji Number: J1.063.433D
• Mol file: 92932-74-6.mol

Synonyms:151004-92-1;(S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;(S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID;(1s)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;1-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, (1S)-;MFCD03426333;SCHEMBL2303831;(S)-1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid;(S)-1,2,3,4-Tetrahydro-1-isoquinolinecarboxylic acid;DTXSID70918865;AMY37534;AKOS017344896;CS-W008757;DS-6567;AC-29611;EN300-191227;A809104

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

Chemical Property:

• Melting Point: 214.5 °C
• Boiling Point: 370.7 °C at 760 mmHg
• Flash Point: 178 °C
• PSA: 49.33000
• Density: 1.225 g/cm³
• LogP: 2.08880
• Storage Temp.: 0-6°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid hydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(C2=CC=CC=C21)C(=O)O
• Isomeric SMILES: C1CN[C@@H](C2=CC=CC=C21)C(=O)O