Ethoheptazine
[CAS# 77-15-6]

Identification

• Name: Ethoheptazine
• Synonyms: Citric Acid; Ethyl 1-Methyl-4-Phenyl-Azepane-4-Carboxylate; Citric Acid; 1-Methyl-4-Phenyl-4-Azepanecarboxylic Acid Ethyl Ester; Citric Acid; 1-Methyl-4-Phenyl-Azepane-4-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₂₂H₃₁NO₉
• Molecular Weight: 453.49
• CAS Registry Number: 77-15-6 (2085-42-9)
• EINECS: 201-007-3
• SMILES: C2=C(C1(C(OCC)=O)CCN(CCC1)C)C=CC=C2.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/C16H23NO2.C6H8O7/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,3,7,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: KCVHFFSPDODYOG-UHFFFAOYSA-N

Properties

• Boiling point: 346.4°C at 760 mmHg (Cal.)
• Flash point: 114.4°C (Cal.)