3-[Bis(2-Chloroethyl)Amino]-p-Toluic Acid Heptadecyl Ester
[CAS# 21447-82-5]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]-p-Toluic Acid Heptadecyl Ester
• Synonyms: Heptadecyl 3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoate; 3-[Bis(2-Chloroethyl)Amino]-4-Methylbenzoic Acid Heptadecyl Ester; 3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoic Acid Heptadecyl Ester
• Molecular Formula: C₂₉H₄₉Cl₂NO₂
• Molecular Weight: 514.62
• CAS Registry Number: 21447-82-5
• SMILES: C1=C(C(=O)OCCCCCCCCCCCCCCCCC)C=CC(=C1N(CCCl)CCCl)C
• InChI: 1S/C29H49Cl2NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-29(33)27-19-18-26(2)28(25-27)32(22-20-30)23-21-31/h18-19,25H,3-17,20-24H2,1-2H3
• InChIKey: XVQDYVLXIXMLOS-UHFFFAOYSA-N

Properties

• Density: 1.026g/cm³ (Cal.)
• Boiling point: 591.928°C at 760 mmHg (Cal.)
• Flash point: 311.787°C (Cal.)