N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; 2-Hydroxypropane-1,2,3-Tricarboxylic Acid
[CAS# 72156-44-6]

Identification

• Name: N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; 2-Hydroxypropane-1,2,3-Tricarboxylic Acid
• Synonyms: N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; Citric Acid; 1,3-Benzodioxol-5-Ylmethyl-Isopropyl-Amine; 1,3-Benzodioxol-5-Ylmethyl-Isopropyl-Amine; Citric Acid
• Molecular Formula: C₃₉H₅₃N₃O₁₃
• Molecular Weight: 771.86
• CAS Registry Number: 72156-44-6
• SMILES: C2=C1OCOC1=CC=C2CNC(C)C.C4=C3OCOC3=CC=C4CNC(C)C.C(NC(C)C)C6=CC=C5OCOC5=C6.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/3C11H15NO2.C6H8O7/c3*1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*3-5,8,12H,6-7H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: MCOPQDHVTUNDJM-UHFFFAOYSA-N

Properties

• Boiling point: 273.3°C at 760 mmHg (Cal.)
• Flash point: 109.5°C (Cal.)