4-[(R)-[(2S,5R)-4-Allyl-2,5-Dimethyl-1-Piperazinyl](3-Hydroxyphenyl)Methyl]-N,N-Diethylbenzamide
[CAS# 155836-52-5]

Identification

• Name: 4-[(R)-[(2S,5R)-4-Allyl-2,5-Dimethyl-1-Piperazinyl](3-Hydroxyphenyl)Methyl]-N,N-Diethylbenzamide
• Synonyms: (±)-4-((α-R*)-α-((2S*,5R*)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N,N-diethylbenzamide; [155836-52-5]
• Molecular Formula: C₂₇H₃₇N₃O₂
• Molecular Weight: 435.60
• CAS Registry Number: 155836-52-5
• SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)O)N3C[C@H](N(C[C@@H]3C)CC=C)C
• InChI: 1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
• InChIKey: LBLDMHBSVIVJPM-YZIHRLCOSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 579.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 304.3±30.1°C (Cal.)
• Refractive index: 1.562 (Cal.)
• solubility: Soluble to 100 mM in 1eq. HCl