N-(2-Diethylaminoethyl)-2-Methyl-5-Nitro-1,3-Benzodioxole-2-Acetamide
[CAS# 50836-11-8]

Identification

• Name: N-(2-Diethylaminoethyl)-2-Methyl-5-Nitro-1,3-Benzodioxole-2-Acetamide
• Synonyms: N-(2-Diethylaminoethyl)-2-(2-Methyl-5-Nitro-1,3-Benzodioxol-2-Yl)Ethanamide; Ethanedioic Acid; 1,3-Benzodioxole-2-Acetamide, N-(2-Diethylaminoethyl)-2-Methyl-5-Nitro-; 1,3-Benzodioxole-2-Acetamide, N-(2-Diethylaminoethyl)-2-Methyl-5-Nitro-, Oxalate
• Molecular Formula: C₁₈H₂₅N₃O₉
• Molecular Weight: 427.41
• CAS Registry Number: 50836-11-8
• SMILES: C1=C([N+]([O-])=O)C=CC2=C1OC(O2)(CC(=O)NCCN(CC)CC)C.O=C(O)C(=O)O
• InChI: 1S/C16H23N3O5.C2H2O4/c1-4-18(5-2)9-8-17-15(20)11-16(3)23-13-7-6-12(19(21)22)10-14(13)24-16;3-1(4)2(5)6/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,20);(H,3,4)(H,5,6)
• InChIKey: SPDJIYHFWWLZLB-UHFFFAOYSA-N

Properties

• Boiling point: 507.8°C at 760 mmHg (Cal.)
• Flash point: 260.9°C (Cal.)