1-[(4aS,5S,6S,8aS)-6-Hydroxy-5,8a-Dimethyl-1,3,4,4a,5,6,7,8-Octahydroisoquinolin-2-Yl]Dodecan-1-One
[CAS# 143705-67-3]

Identification

• Name: 1-[(4aS,5S,6S,8aS)-6-Hydroxy-5,8a-Dimethyl-1,3,4,4a,5,6,7,8-Octahydroisoquinolin-2-Yl]Dodecan-1-One
• Synonyms: 6-Isoquinolinol, Decahydro-5,8A-Dimethyl-2-(1-Oxododecyl)-, (4As-(4Aalpha,5Alpha,6Bta,8Abeta))-; N-(1-Oxododecyl)-4,10-Dimethyl-8-Azadecal-3-Ol; N-(1-Oxododecyl)-4Alpha,10-Dimethyl-8-Aza-Trans-Decal-3Beta-Ol
• Molecular Formula: C₂₃H₄₃NO₂
• Molecular Weight: 365.60
• CAS Registry Number: 143705-67-3
• SMILES: [C@@H]1(CC[C@]2([C@H]([C@@H]1C)CCN(C(CCCCCCCCCCC)=O)C2)C)O
• InChI: 1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1
• InChIKey: HAAFPJPFMNRFMB-VVSUKSJXSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 494.405°C at 760 mmHg (Cal.)
• Flash point: 252.807°C (Cal.)