1-(Dimethylamino)cyclohexanecarbonitrile

Base Information

• Chemical Name: 1-(Dimethylamino)cyclohexanecarbonitrile
• CAS No.: 16499-30-2
• Molecular Formula: C9H16 N2
• Molecular Weight: 152.239
• Hs Code.: 2926909090
• European Community (EC) Number: 634-085-6
• NSC Number: 525355
• UNII: L8BPW3H92K
• DSSTox Substance ID: DTXSID30167832
• Nikkaji Number: J72.697D
• Wikidata: Q83037317
• Mol file: 16499-30-2.mol

Synonyms:1-(Dimethylamino)cyclohexanecarbonitrile;16499-30-2;1-(dimethylamino)cyclohexane-1-carbonitrile;Cyclohexanecarbonitrile, 1-(dimethylamino)-;L8BPW3H92K;NSC-525355;NSC 525355;BRN 2802545;NSC525355;UNII-L8BPW3H92K;1-cyanocyclohexyldimethylamine;4-14-00-00976 (Beilstein Handbook Reference);SCHEMBL2565999;DTXSID30167832;SDHHZJUUIBWPPN-UHFFFAOYSA-N;MFCD00086186;STK503140;1-Cyano-N,N-dimethyl cyclohexylamine;AKOS005171308;LS-01647;CS-0447887;FT-0679015;EN300-97024;A23522;1-(DIMETHYLAMINO)-CYCLOHEXANECARBONITRILE;Z447993672

Chemical Property of 1-(Dimethylamino)cyclohexanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.0253mmHg at 25°C
• Melting Point: 30℃
• Boiling Point: 112-113℃ (17 Torr)
• PKA: 5.38±0.70(Predicted)
• Flash Point: 95.7°C
• PSA: 27.03000
• Density: 0.95g/cm³
• LogP: 1.77448
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.131348519
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

1-(Dimethylamino)cyclohexane-1-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1(CCCCC1)C#N

Technology Process of 1-(Dimethylamino)cyclohexanecarbonitrile

There total 10 articles about 1-(Dimethylamino)cyclohexanecarbonitrile 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: 100.0%

→ 1-(dimethylamino)cyclohexanecarbonitrile (16499-30-2)

Guidance literature:

Reference yield: 85.0%

N,N-dimethylammonium chloride (506-59-2) + potassium cyanide (151-50-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(dimethylamino)cyclohexanecarbonitrile (16499-30-2)

Guidance literature:

In water; Ambient temperature;

DOI:10.1016/0223-5234(96)89139-2

Reference yield:

potassium cyanide + N,N-dimethylammonium chloride (506-59-2) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(dimethylamino)cyclohexanecarbonitrile (16499-30-2)

Guidance literature:

In water; at 20 ℃; for 24h;

upstream raw materials:

hydrogen cyanide

cyclohexanone

dimethyl amine

2-hydroxy-2-methylpropanenitrile

Downstream raw materials:

1-(hydroxyamino)cyclohexanecarbonitrile

cyclohex-1-enecarbonitrile

N,N-dimethyl-1-phenylcyclohexyl-1-amine

1-aminomethyl‐1‐cyclohexanedimethylamine

Refernces

• 1、 -. "AH-7921 DETECTION". Paragraph 0068; 0069. . Retrieved 2016/09/26.
• 2、 Caulfield,Collie,Dickins,Epemolu,McGuire,Hill,McVey,Morphy,Rankovic,Sundaram. "The first potent and selective inhibitors of the glycine transporter type 2 [1]". . p. 2679 - 2682. Retrieved 2007/10/03.