(2S,3S,4R,5S)-1-Butyl-2-(Hydroxymethyl)-3,4,5-Piperidinetriol
[CAS# 441061-44-5]

Identification

• Name: (2S,3S,4R,5S)-1-Butyl-2-(Hydroxymethyl)-3,4,5-Piperidinetriol
• Synonyms: (2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
• Molecular Formula: C₁₀H₂₁NO₄
• Molecular Weight: 219.28
• CAS Registry Number: 441061-44-5
• SMILES: CCCCN1C[C@@H]([C@H]([C@H]([C@@H]1CO)O)O)O
• InChI: 1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1
• InChIKey: UQRORFVVSGFNRO-AATLWQCWSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 394.7±42.0°C at 760 mmHg (Cal.)
• Flash point: 215.4±26.5°C (Cal.)
• Refractive index: 1.546 (Cal.)