(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-Methoxybenzyl)quinuclidin-3-aMine
- Product Name(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-Methoxybenzyl)quinuclidin-3-aMine
- CAS147116-67-4
- CBNumberCB02622781
- MFC32H40N2O
- MW468.67
- EINECS831-973-7
- MDL NumberMFCD25541735
- MOL File147116-67-4.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 572.6±50.0 °C(Predicted) |
| Density | 1.11±0.1 g/cm3(Predicted) |
| vapor pressure | 0-0Pa at 20-25℃ |
| storage temp. | Store at -20°C |
| solubility | DMSO : 33.33 mg/mL (71.12 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble) |
| form | Solid:particulate/powder |
| pka | 9.99±0.70(Predicted) |
| color | Off-white to yellow |
| InChIKey | OMPCVMLFFSQFIX-CONSDPRKSA-N |
| SMILES | N12CCC(CC1)[C@H](NCC1=CC(C(C)(C)C)=CC=C1OC)[C@@H]2C(C1=CC=CC=C1)C1=CC=CC=C1 |
| LogP | 3.1-7.2 at pH2-7.5 |
| CAS DataBase Reference | 147116-67-4 |
| FDA UNII | 4XE2T9H4DH |
| UNSPSC Code | 51111800 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
  
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| Signal word | Warning |
| Hazard statements | H410-H373-H317 |
| Precautionary statements | P273-P391-P501-P260-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Skin Sens. 1 STOT RE 2 |
