1-Isopropyl-2,3,4,9-Tetrahydro-1H-beta-Carboline-3-Carboxylic Acid
[CAS# 436811-11-9]

Identification

• Name: 1-Isopropyl-2,3,4,9-Tetrahydro-1H-beta-Carboline-3-Carboxylic Acid
• Synonyms: (1R,3S)-1-Isopropyl-1,3,4,9-Tetrahydropyrido[5,4-B]Indol-2-Ium-3-Carboxylate; (1R,3S)-1-Isopropyl-1,3,4,9-Tetrahydro-$B-Carbolin-2-Ium-3-Carboxylate; Zinc00329132
• Molecular Formula: C₁₅H₁₈N₂O₂
• Molecular Weight: 258.32
• CAS Registry Number: 436811-11-9
• SMILES: [C@@H]1([NH2+][C@@H](CC2=C1[NH]C3=C2C=CC=C3)C([O-])=O)C(C)C
• InChI: 1S/C15H18N2O2/c1-8(2)13-14-10(7-12(17-13)15(18)19)9-5-3-4-6-11(9)16-14/h3-6,8,12-13,16-17H,7H2,1-2H3,(H,18,19)/t12-,13+/m0/s1
• InChIKey: PQJWDNCGZBQHRJ-QWHCGFSZSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 489.898°C at 760 mmHg (Cal.)
• Flash point: 250.082°C (Cal.)