Acetic Acid; N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine
[CAS# 72156-39-9]

Identification

• Name: Acetic Acid; N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine
• Synonyms: Acetic Acid; 1,3-Benzodioxol-5-Ylmethyl-Isopropyl-Amine; N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; Ethanoic Acid; Acetic Acid, Compd. With N-(1-Methylethyl)-1,3-Benzodioxol-5-Methanamine (1:1)
• Molecular Formula: C₁₃H₁₉NO₄
• Molecular Weight: 253.30
• CAS Registry Number: 72156-39-9
• SMILES: C2=C1OCOC1=CC=C2CNC(C)C.CC(=O)O
• InChI: 1S/C11H15NO2.C2H4O2/c1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;1-2(3)4/h3-5,8,12H,6-7H2,1-2H3;1H3,(H,3,4)
• InChIKey: WOTUXKMPRRYBNY-UHFFFAOYSA-N

Properties

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