Cas no 30907-98-3 (1H-Indole,3-[(2S)-2-piperidinylmethyl]-)
![1H-Indole,3-[(2S)-2-piperidinylmethyl]- structure](https://ossimg.kuujia.com/scimg/31000/30907-98-3x500.png)
30907-98-3 structure
Product Name:1H-Indole,3-[(2S)-2-piperidinylmethyl]-
CAS No:30907-98-3
MF:C14H18N2
MW:214.306123256683
CID:315472
Update Time:2024-01-28
1H-Indole,3-[(2S)-2-piperidinylmethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole,3-[(2S)-2-piperidinylmethyl]-
- 10,11-Secoergoline(8CI)
- 1H-Indole, 3-[(2-piperidinyl)methyl]-, (S)-
- Indole,3-(2-piperidylmethyl)-, (S)-
- 1H-Indole, 3-[(2S)-2-piperidinylmethyl]-
-
- Inchi： 1S/C14H18N2/c1-2-7-14-13(6-1)11(10-16-14)9-12-5-3-4-8-15-12/h1-2,6-7,10,12,15-16H,3-5,8-9H2/t12-/m0/s1
- InChI Key： NQAIQKCDQAOHIA-LBPRGKRZSA-N
- SMILES： N1C2=C(C=CC=C2)C(C[C@@H]2CCCCN2)=C1
Computed Properties
- Exact Mass: 214.14714
Experimental Properties
- Density: 1.109±0.06 g/cm3(Predicted)
- Boiling Point: 388.3±17.0 °C(Predicted)
- PSA: 27.82
- pka: 17.34±0.30(Predicted)
1H-Indole,3-[(2S)-2-piperidinylmethyl]- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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