Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-

Base Information

Chemical Name:Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-
CAS No.:3194-43-2
Molecular Formula:C10H18 N2
Molecular Weight:166.266
Hs Code.:2933990090
European Community (EC) Number:221-694-3
NSC Number:165580
UNII:V9AX471ZUG
DSSTox Substance ID:DTXSID00185780
Nikkaji Number:J342.522C
Wikidata:Q83056877
Mol file:3194-43-2.mol

Synonyms:4-(azepan-1-yl)butanenitrile;3194-43-2;Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-;4-HEXAMETHYLENEIMINOBUTYRONITRILE;1H-Azepine-1-butyronitrile, hexahydro-;EINECS 221-694-3;1-(Hexahydro-1H-azepin-1-yl)butyronitrile;4-(Hexamethyleneimino)butyronitrile;Hexahydro-1H-azepine-1-butyronitrile;NSC 165580;BRN 1562221;V9AX471ZUG;Hexahydro-1H-azepine-1-butanenitrile;NSC-165580;1H-Azepine-1-butanenitrile, hexahydro-;NSC165580;UNII-V9AX471ZUG;4-(1-azepanyl)butanenitrile;SCHEMBL154378;DTXSID00185780;4-(homopiperidin-1-yl)butyronitrile;MFCD00014118;4-(n-Hexamethyleneimino)butyronitrile;AKOS000176074;LS-48258;FT-0616781;A821064;2,3,4,5,6,7-Hexahydro-1H-azepine-1-butanenitrile

Suppliers and Price of Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Hexamethyleneiminobutyronitrile
100mg
$ 60.00

TRC
4-Hexamethyleneiminobutyronitrile
50mg
$ 45.00

American Custom Chemicals Corporation
4-HEXAMETHYLENEIMINOBUTYRONITRILE 95.00%
50G
$ 3423.60

AHH
4-Hexamethyleneiminobutyronitrile 96%
50g
$ 488.00

Total 8 raw suppliers

Chemical Property of Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-

Chemical Property:

Vapor Pressure:0.00247mmHg at 25°C
Refractive Index:1.4733
Boiling Point:287.6°Cat760mmHg
PKA:9.20±0.20(Predicted)
Flash Point:117.7°C
PSA：27.03000
Density:0.927g/cm³
LogP:2.10408
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:166.146998583
Heavy Atom Count:12
Complexity:149

Purity/Quality:

97% ^*data from raw suppliers

4-Hexamethyleneiminobutyronitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.;
Hazard Codes:R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.;
Statements: 20/21/22-36/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCCN(CC1)CCCC#N

Technology Process of Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-

There total 1 articles about Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: