Cas no 128573-77-3 (8-Indolizinemethanol,octahydro-, (8S,8aR)-)
128573-77-3 structure
Product Name:8-Indolizinemethanol,octahydro-, (8S,8aR)-
CAS No:128573-77-3
MF:C9H17NO
MW:155.237382650375
CID:226167
Update Time:2024-03-01
8-Indolizinemethanol,octahydro-, (8S,8aR)- Chemical and Physical Properties
Names and Identifiers
-
- 8-Indolizinemethanol,octahydro-, (8S,8aR)-
- (+)-Tashiromine
- (5S,6R)-5-(Hydroxymethyl)-trans-indolizidine
- 8-Indolizinemethanol,octahydro-, (8S-cis)-
- Tashiromine
- 8-Indolizinemethanol, octahydro-, (8S,8aR)-
-
- Inchi： 1S/C9H17NO/c11-7-8-3-1-5-10-6-2-4-9(8)10/h8-9,11H,1-7H2/t8-,9-/m1/s1
- InChI Key： DATGBSBEMJWBMW-RKDXNWHRSA-N
- SMILES： C1[C@@]2([H])N(CCC[C@@H]2CO)CC1
Computed Properties
- Exact Mass: 155.13111
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- XLogP3: 0.635
Experimental Properties
- Density: 1.06±0.1 g/cm3(Predicted)
- Boiling Point: 223.8±13.0 °C(Predicted)
- PSA: 23.47
- pka: 14.89±0.10(Predicted)
8-Indolizinemethanol,octahydro-, (8S,8aR)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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