3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile

Modify Date: 2025-09-27 16:33:39

3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile Structure
3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile structure
Common Name 3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile
CAS Number 101831-76-9 Molecular Weight 253.34200
Density 1.17g/cm3 Boiling Point 445.3ºC at 760mmHg
Molecular Formula C16H19N3 Melting Point N/A
MSDS N/A Flash Point 223.1ºC

 Names

Name 3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.17g/cm3
Boiling Point 445.3ºC at 760mmHg
Molecular Formula C16H19N3
Molecular Weight 253.34200
Flash Point 223.1ºC
Exact Mass 253.15800
PSA 42.82000
LogP 3.35348
Vapour Pressure 3.99E-08mmHg at 25°C
Index of Refraction 1.632
InChIKey UKLWZZWLUVCPDA-UHFFFAOYSA-N
SMILES N#Cc1ccc2[nH]cc(CN3CCCCCC3)c2c1

 Synonyms

INDOLE-5-CARBONITRILE,3-(HEXAHYDRO-1H-AZEPINYLMETHYL)
5-Cyano-3-(hexamethyleneiminomethyl)indole
3-(Hexahydro-1H-azepinylmethyl)-5-indolecarbonitrile
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