7-[(3S)-3-Amino-1-Pyrrolidinyl]-N,N-Dimethyl-2,1,3-Benzoxadiazole-4-Sulfonamide
[CAS# 143112-50-9]

Identification

• Name: 7-[(3S)-3-Amino-1-Pyrrolidinyl]-N,N-Dimethyl-2,1,3-Benzoxadiazole-4-Sulfonamide
• Synonyms: (S)-(+)-DBD-APy [=(S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for eε Determination]
• Molecular Formula: C₁₂H₁₇N₅O₃S
• Molecular Weight: 311.36
• CAS Registry Number: 143112-50-9
• SMILES: CN(C)S(=O)(=O)c1ccc(c2c1non2)N3CC[C@@H](C3)N
• InChI: 1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-6-5-8(13)7-17/h3-4,8H,5-7,13H2,1-2H3/t8-/m0/s1
• InChIKey: SZJGHUNJZRXXCA-QMMMGPOBSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 503.58°C at 760 mmHg (Cal.)
• Flash point: 258.356°C (Cal.)
• Refractive index: 1.629 (Cal.)