1H-Indole-3-propanenitrile

Modify Date: 2025-08-25 06:24:00

1H-Indole-3-propanenitrile Structure
1H-Indole-3-propanenitrile structure
Common Name 1H-Indole-3-propanenitrile
CAS Number 4414-76-0 Molecular Weight 170.21000
Density 1.177g/cm3 Boiling Point 410.7ºC at 760mmHg
Molecular Formula C11H10N2 Melting Point N/A
MSDS N/A Flash Point 136ºC

 Names

Name 3-(1H-indol-3-yl)propanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.177g/cm3
Boiling Point 410.7ºC at 760mmHg
Molecular Formula C11H10N2
Molecular Weight 170.21000
Flash Point 136ºC
Exact Mass 170.08400
PSA 39.58000
LogP 2.62408
Index of Refraction 1.648
InChIKey QZBSQJAILQLCJF-UHFFFAOYSA-N
SMILES N#CCCc1c[nH]c2ccccc12

 Safety Information

HS Code 2933990090

 Synthetic Route

~90%

1H-Indole-3-propanenitrile Structure

1H-Indole-3-pro...

CAS#:4414-76-0

Literature: Mohammadpoor-Baltork, Iraj; Reza Memarian, Hamid; Reza Khosropour, Ahmad; Nikoofar, Kobra Heterocycles, 2006 , vol. 68, # 9 p. 1837 - 1843

~50%

1H-Indole-3-propanenitrile Structure

1H-Indole-3-pro...

CAS#:4414-76-0

Detail
Literature: Black, Phillip J.; Edwards, Michael G.; Williams, Jonathan M. J. European Journal of Organic Chemistry, 2006 , # 19 p. 4367 - 4378

~66%

1H-Indole-3-propanenitrile Structure

1H-Indole-3-pro...

CAS#:4414-76-0

Literature: Pedras, M. Soledade C.; Minic, Zoran; Thongbam, Premila D.; Bhaskar, Vangala; Montaut, Sabine Phytochemistry, 2010 , vol. 71, # 17-18 p. 1952 - 1962

~90%

1H-Indole-3-propanenitrile Structure

1H-Indole-3-pro...

CAS#:4414-76-0

Literature: Dolusic, Eduard; Larrieu, Pierre; Moineaux, Laurence; Stroobant, Vincent; Pilotte, Luc; Colau, Didier; Pochet, Lionel; Van Den Eynde, Benoit; Masereel, Bernard; Wouters, Johan; Frederick, Raphael Journal of Medicinal Chemistry, 2011 , vol. 54, # 15 p. 5320 - 5334

~51%

1H-Indole-3-propanenitrile Structure

1H-Indole-3-pro...

CAS#:4414-76-0

Literature: Majchrzak, Michal W.; Simchen, Gerhard Synthesis, 1986 , # 11 p. 956 - 958

~%

1H-Indole-3-propanenitrile Structure

1H-Indole-3-pro...

CAS#:4414-76-0

Literature: Dolusic, Eduard; Larrieu, Pierre; Moineaux, Laurence; Stroobant, Vincent; Pilotte, Luc; Colau, Didier; Pochet, Lionel; Van Den Eynde, Benoit; Masereel, Bernard; Wouters, Johan; Frederick, Raphael Journal of Medicinal Chemistry, 2011 , vol. 54, # 15 p. 5320 - 5334

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1H-Indole-3-propanenitrile
Indol-3-propionitrile
Indole-3-propionitrile
1H-indole-3-propionitrile
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