rel-4-Amino-N-(1R,4S,5R)-1-Azabicyclo[3.3.1]Non-4-Yl-5-Chloro-2-Methoxy-Benzamide
[CAS# 112727-80-7]

Identification

• Name: rel-4-Amino-N-(1R,4S,5R)-1-Azabicyclo[3.3.1]Non-4-Yl-5-Chloro-2-Methoxy-Benzamide
• Synonyms: 4-Amino-N-[(5S,6S)-1-Azabicyclo[3.3.1]Nonan-6-Yl]-5-Chloro-2-Methoxy-Benzamide; 4-Amino-N-1-Azabicyclo(3.3.1)Non-4-Yl-5-Chloro-2-Methoxybenzamide Endo-; Benzamide, 4-Amino-N-1-Azabicyclo(3.3.1)Non-4-Yl-5-Chloro-2-Methoxy-, Endo-
• Molecular Formula: C₁₆H₂₂ClN₃O₂
• Molecular Weight: 323.82
• CAS Registry Number: 112727-80-7
• SMILES: [C@@H]2(NC(=O)C1=CC(=C(N)C=C1OC)Cl)[C@@H]3CN(CC2)CCC3
• InChI: 1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
• InChIKey: GZSKEXSLDPEFPT-HZMBPMFUSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 469.238°C at 760 mmHg (Cal.)
• Flash point: 237.587°C (Cal.)