[(1R)-1-phenyl-2-(piperidin-1-yl)ethyl](propan-2-yl)amine

• ChemBase ID: 302549
• Molecular Formular: C16H26N2
• Molecular Mass: 246.39104
• Monoisotopic Mass: 246.20959884
• SMILES: CC(C)N[C@@H](CN1CCCCC1)c1ccccc1
• Canonical SMILES: CC(N[C@H](c1ccccc1)CN1CCCCC1)C
• InChI: InChI=1S/C16H26N2/c1-14(2)17-16(15-9-5-3-6-10-15)13-18-11-7-4-8-12-18/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3/t16-/m0/s1
• InChIKey: MOSZAQRPQVSXBM-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R)-1-phenyl-2-(piperidin-1-yl)ethyl](propan-2-yl)amine
• IUPAC Traditional name: isopropyl[(1R)-1-phenyl-2-(piperidin-1-yl)ethyl]amine
• Synonyms: (R)-(-)-N-(2-Propyl)-1-phenyl-2-(1-piperidino)ethylamine; (R)-(-)-N-Isopropyl-1-phenyl-2-(1-piperidinyl)ethylamine; (R)-(-)-N-异丙基-1-苯基-2-(1-哌啶基)乙胺

Database IDs

• CAS Number: 129157-10-4
• MDL Number: MFCD06799074

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22153616
• LogD (pH = 7.4): 1.0528039
• Log P: 3.2337554
• Molar Refractivity: 78.3047 cm^3
• Polarizability: 31.140669 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.931
• Refractive Index: 1.5090
• Optical Rotation: +80 (neat)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%