3-Cyclopentyl-4-[(2S)-3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-Phenol
[CAS# 81542-82-7]

Identification

• Name: 3-Cyclopentyl-4-[(2S)-3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-Phenol
• Synonyms: 4-[(2S)-3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-3-Cyclopentyl-Phenol; Ccris 1112; Phenol, 3-Cyclopentyl-4-(3-((1,1-Dimethylethyl)Amino)-2-Hydroxypropoxy)-, (S)-
• Molecular Formula: C₁₈H₂₉NO₃
• Molecular Weight: 307.43
• CAS Registry Number: 81542-82-7
• SMILES: [C@@H](O)(COC2=C(C1CCCC1)C=C(O)C=C2)CNC(C)(C)C
• InChI: 1S/C18H29NO3/c1-18(2,3)19-11-15(21)12-22-17-9-8-14(20)10-16(17)13-6-4-5-7-13/h8-10,13,15,19-21H,4-7,11-12H2,1-3H3/t15-/m0/s1
• InChIKey: PYXBIIXXYVBVLU-HNNXBMFYSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 483.862°C at 760 mmHg (Cal.)
• Flash point: 246.431°C (Cal.)