2-(Anilino-Phenyl-Carbamoyl)Hexanoic Acid
[CAS# 69365-73-7]

Identification

• Name: 2-(Anilino-Phenyl-Carbamoyl)Hexanoic Acid
• Synonyms: Calcium 2-(Anilino-Phenyl-Carbamoyl)Hexanoate; Calcium 2-[(Anilino-Phenylamino)-Oxomethyl]Hexanoate; Calcium 2-(Phenyl-Phenylazanyl-Carbamoyl)Hexanoate
• Molecular Formula: C₃₈H₄₂CaN₄O₆
• Molecular Weight: 690.85
• CAS Registry Number: 69365-73-7 (34461-73-9)
• SMILES: C2=C(N(NC1=CC=CC=C1)C(=O)C(C([O-])=O)CCCC)C=CC=C2.C(C(C(=O)N(NC3=CC=CC=C3)C4=CC=CC=C4)C([O-])=O)CCC.[Ca++]
• InChI: 1S/2C19H22N2O3.Ca/c2*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h2*4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;;+2/p-2
• InChIKey: RKINNRASCJRSHD-UHFFFAOYSA-L

Properties

• Boiling point: 487.4°C at 760 mmHg (Cal.)
• Flash point: 248.6°C (Cal.)