(1S,3S)-2,3,4,9-Tetrahydro-1-Methyl-1H-Pyrido[3,4-b]Indole-3-Carboxylic Acid
[CAS# 40678-46-4]

Identification

• Name: (1S,3S)-2,3,4,9-Tetrahydro-1-Methyl-1H-Pyrido[3,4-b]Indole-3-Carboxylic Acid
• Synonyms: (1S,3S)-1-Methyl-2,3,4,9-Tetrahydro-1H-$B-Carboline-3-Carboxylic Acid; (1S-Cis)-2,3,4,9-Tetrahydro-1-Methyl-1H-Pyrido(3,4-B)Indole-3-Carboxylic Acid; Stock1n-51068
• Molecular Formula: C₁₃H₁₄N₂O₂
• Molecular Weight: 230.27
• CAS Registry Number: 40678-46-4
• SMILES: [C@H]3(CC1=C([NH]C2=C1C=CC=C2)[C@@H](N3)C)C(=O)O
• InChI: 1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)/t7-,11-/m0/s1
• InChIKey: ZUPHXNBLQCSEIA-CPCISQLKSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 488.027°C at 760 mmHg (Cal.)
• Flash point: 248.95°C (Cal.)