3-[Bis(2-Chloroethyl)Amino]-o-Toluic Acid
[CAS# 5977-02-6]

Identification

• Name: 3-[Bis(2-Chloroethyl)Amino]-o-Toluic Acid
• Molecular Formula: C₂₃H₂₅N₅O₃
• Molecular Weight: 419.48
• CAS Registry Number: 5977-02-6
• SMILES: C1=CN=CC(=C1)CNC(=O)C2=CC(=CC=C2N(C)C)NC(NC3=CC=C(C=C3)OC)=O
• InChI: 1S/C23H25N5O3/c1-28(2)21-11-8-18(27-23(30)26-17-6-9-19(31-3)10-7-17)13-20(21)22(29)25-15-16-5-4-12-24-14-16/h4-14H,15H2,1-3H3,(H,25,29)(H2,26,27,30)
• InChIKey: SERZVWCPNTZWAK-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 561.609°C at 760 mmHg (Cal.)
• Flash point: 293.451°C (Cal.)