(2R,3R,4S)-2-{[(1H-Imidazol-1-Ylmethyl)Amino]Methyl}-3,4-Pyrrolidinediol
[CAS# 388076-95-7]

Identification

• Name: (2R,3R,4S)-2-{[(1H-Imidazol-1-Ylmethyl)Amino]Methyl}-3,4-Pyrrolidinediol
• Synonyms: (2R,3R,4S)-2-((((1H-imidazol-1-yl)methyl)amino)methyl)pyrrolidine-3,4-diol
• Molecular Formula: C₉H₁₆N₄O₂
• Molecular Weight: 212.25
• CAS Registry Number: 388076-95-7
• SMILES: C1[C@@H]([C@@H]([C@H](N1)CNCN2C=CN=C2)O)O
• InChI: 1S/C9H16N4O2/c14-8-4-12-7(9(8)15)3-11-6-13-2-1-10-5-13/h1-2,5,7-9,11-12,14-15H,3-4,6H2/t7-,8+,9-/m1/s1
• InChIKey: AXLGCGSOTAFBLX-HRDYMLBCSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 466.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 236.1±28.7°C (Cal.)
• Refractive index: 1.694 (Cal.)