3-pyrrolidin-1-ylbenzonitrile
Modify Date: 2025-09-29 05:50:54
3-pyrrolidin-1-ylbenzonitrile structure
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Common Name | 3-pyrrolidin-1-ylbenzonitrile | ||
|---|---|---|---|---|
| CAS Number | 175696-73-8 | Molecular Weight | 172.22600 | |
| Density | 1.12g/cm3 | Boiling Point | 316.8ºC at 760 mmHg | |
| Molecular Formula | C11H12N2 | Melting Point | 84ºC | |
| MSDS | N/A | Flash Point | 139ºC | |
| Name | 3-pyrrolidin-1-ylbenzonitrile |
|---|---|
| Synonym | More Synonyms |
| Density | 1.12g/cm3 |
|---|---|
| Boiling Point | 316.8ºC at 760 mmHg |
| Melting Point | 84ºC |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.22600 |
| Flash Point | 139ºC |
| Exact Mass | 172.10000 |
| PSA | 27.03000 |
| LogP | 2.22348 |
| Vapour Pressure | 0.000401mmHg at 25°C |
| Index of Refraction | 1.588 |
| InChIKey | UMJBSSQWHKPDJF-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(N2CCCC2)c1 |
| Hazard Codes | Xi: Irritant; |
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~86%
3-pyrrolidin-1-... CAS#:175696-73-8 |
| Literature: Wolfe, John P.; Tomori, Hiroshi; Sadighi, Joseph P.; Yin, Jingjun; Buchwald, Stephen L. Journal of Organic Chemistry, 2000 , vol. 65, # 4 p. 1158 - 1174 |
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~64%
3-pyrrolidin-1-... CAS#:175696-73-8 |
| Literature: Sznaidman, Marcos L.; Meade, Eric A.; Beauchamp, Lilia M.; Russell, Stuart; Tisdale, Margaret Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 5 p. 565 - 568 |
|
~63%
3-pyrrolidin-1-... CAS#:175696-73-8 |
| Literature: Belfield, Andrew J.; Brown, George R.; Foubister, Alan J.; Ratcliffe, Paul D. Tetrahedron, 1999 , vol. 55, # 46 p. 13285 - 13300 |
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~%
3-pyrrolidin-1-... CAS#:175696-73-8 |
| Literature: AstraZeneca AB Patent: US6579872 B1, 2003 ; US 6579872 B1 |
CAS#:175696-70-5| 3-pyrrolidinylbenzenecarbonitrile |
| 3-pyrrolidin-1-yl-benzonitrile |