2-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]-3-Phenylpropanoic Acid
[CAS# 1104-36-5]

Identification

• Name: 2-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]-3-Phenylpropanoic Acid
• Synonyms: 2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]-3-Phenyl-Propanoic Acid; 2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]-3-Phenylpropanoic Acid; 2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₁H₂₂N₂O₄S
• Molecular Weight: 398.48
• CAS Registry Number: 1104-36-5
• EINECS: 214-165-3
• SMILES: C1=CC=C(C2=CC=CC(=C12)[S](NC(CC3=CC=CC=C3)C(O)=O)(=O)=O)N(C)C
• InChI: 1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)
• InChIKey: GPIOGTIFRDHWSB-UHFFFAOYSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 604.669°C at 760 mmHg (Cal.)
• Flash point: 319.493°C (Cal.)

References

• (1): Lan Cao, Xi Chun Zhou and Sam Fong Yau Li. , Analyst, 2001, 126, 184.