Halostachin
[CAS# 495-42-1]

Identification

• Name: Halostachin
• Synonyms: 2-Methylamino-1-Phenyl-Ethanol; Benzenemethanol, Alpha-((Methylamino)Methyl)-, (R)-; Halostachine
• Molecular Formula: C₉H₁₃NO
• Molecular Weight: 151.21
• CAS Registry Number: 495-42-1
• SMILES: C1=CC=CC=C1C(CNC)O
• InChI: 1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
• InChIKey: ZCTYHONEGJTYQV-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 73-76°C (Expl.)
• Boiling point: 244.1±7.0°C at 760 mmHg (Cal.)
• Flash point: 96.3±8.7°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT

References

• (1): Yao, X., Parnot, C., Deupi, X., Ratnala, V.R.P., Swaminath, G., Farrens, D. & Kobilka, B.. Coupling ligand structure to specific conformational switches in the beta2-andrenoceptor, Nature Chemical Biology, 2006