4-[(2-Chloroethyl)amino]-Benzenebutanoic acid
[CAS# 116505-53-4]

Identification

• Name: 4-[(2-Chloroethyl)amino]-Benzenebutanoic acid
• Synonyms: 4-[4-(2-Chloroethylamino)Phenyl]Butyric Acid; Benzenebutanoic Acid, 4-((2-Chloroethyl)Amino)-; Ccris 1318
• Molecular Formula: C₁₂H₁₆ClNO₂
• Molecular Weight: 241.72
• CAS Registry Number: 116505-53-4
• SMILES: C1=C(C=CC(=C1)CCCC(=O)O)NCCCl
• InChI: 1S/C12H16ClNO2/c13-8-9-14-11-6-4-10(5-7-11)2-1-3-12(15)16/h4-7,14H,1-3,8-9H2,(H,15,16)
• InChIKey: JKJKVYIHGWHFSO-UHFFFAOYSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 425.55°C at 760 mmHg (Cal.)
• Flash point: 211.165°C (Cal.)