N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; But-2-Enedioic Acid
[CAS# 72156-41-3]

Identification

• Name: N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; N-(1,3-Benzodioxol-5-Ylmethyl)Propan-2-Amine; But-2-Enedioic Acid
• Synonyms: 1,3-Benzodioxol-5-Ylmethyl-Isopropyl-Amine; 1,3-Benzodioxol-5-Ylmethyl-Isopropyl-Amine; But-2-Enedioic Acid; 1,3-Benzodioxole-5-Methanamine, N-(1-Methylethyl)-, (E)-2-Butenedioate (Salt) (1:1); Crl 40599C
• Molecular Formula: C₂₆H₃₄N₂O₈
• Molecular Weight: 502.56
• CAS Registry Number: 72156-41-3
• SMILES: C2=C1OCOC1=CC=C2CNC(C)C.C4=C3OCOC3=CC=C4CNC(C)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/2C11H15NO2.C4H4O4/c2*1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;5-3(6)1-2-4(7)8/h2*3-5,8,12H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
• InChIKey: ISKDFSQJJYLYCI-WXXKFALUSA-N

Properties

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