4-Heptanamine

Base Information

• Chemical Name: 4-Heptanamine
• CAS No.: 16751-59-0
• Molecular Formula: C7H17N
• Molecular Weight: 115.219
• Hs Code.: 2921199090
• European Community (EC) Number: 240-814-5
• DSSTox Substance ID: DTXSID5066116
• Nikkaji Number: J208.599B
• Wikidata: Q5652287
• Mol file: 16751-59-0.mol

Synonyms:4-Heptylamine;4-Heptanamine;16751-59-0;heptan-4-amine;4-Aminoheptane;1-Propylbutylamine;1-Propylbutanamine;(1-propylbutyl)amine hydrochloride;Butylamine, 1-propyl-;BRN 1697157;EINECS 240-814-5;MFCD00014814;4-04-00-00745 (Beilstein Handbook Reference);1-propyl-butylamine;(1-propylbutyl)amine;SCHEMBL284709;1-Propylbutylamine, AldrichCPR;DTXSID5066116;AMY3864;BBL003306;STK520612;AKOS000160474;NCGC00329542-01;AS-30968;LS-47441;SY024496;CS-0206199;FT-0637426;H0637;AB01323420-02;EN300-1276287;J-010376;Q5652287

Chemical Property of 4-Heptanamine

Chemical Property:

• Vapor Pressure: 6.41mmHg at 25°C
• Melting Point: -19°C (estimate)
• Refractive Index: 1.426
• Boiling Point: 139.5 °C at 760 mmHg
• PKA: 11.04±0.35(Predicted)
• Flash Point: 41.3 °C
• PSA: 26.02000
• Density: 0.777g/cm³
• LogP: 2.61420
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.136099547
• Heavy Atom Count: 8
• Complexity: 37.7

Purity/Quality:

97% ^*data from raw suppliers

4-Heptylamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-34-43-22
• Safety Statements: 16-26-37/39-53

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)N
• Uses: 4-Aminoheptane is used in organic syntheses.

Technology Process of 4-Heptanamine

There total 19 articles about 4-Heptanamine 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: 78.0%

4-heptanone (123-19-3) → 4-heptylamine (16751-59-0)

Guidance literature:

With ammonium acetate; sodium cyanoborohydride; In methanol; at 25 ℃; for 72h;

DOI:10.1039/a701671i

Reference yield:

4-heptanone oxime (1188-63-2) → 4-heptylamine (16751-59-0)

Guidance literature:

With ethanol; nickel; Hydrogenation;

DOI:10.1021/ja01645a040

Reference yield:

4-heptanone (123-19-3) + ammonium formate (540-69-2) → 4-heptylamine (16751-59-0)

Guidance literature:

at 180 ℃; Kochen des Reaktionsprodukts mit konz.HCl;

upstream raw materials:

4-heptanone

ammonium formate

4-heptanone oxime

1,2-di(heptan-4-ylidene)hydrazine

Downstream raw materials:

benzonitrile

N-phenyl-N'-(1-propyl-butyl)-urea

1-Cyclohexyl-3-(1-propyl-butyl)-urea

1-Methyl-3-(1-propyl-butyl)-urea

Refernces

• 1、 Guo, Wanjun,Tong, Tao,Liu, Xiaohui,Guo, Yong,Wang, Yanqin. "Morphology-Tuned Activity of Ru/Nb2O5 Catalysts for Ketone Reductive Amination". . p. 4130 - 4138. Retrieved 2019/05/24.
• 2、 Bowles, Peter,Clayden, Jonathan,Helliwell, Madeleine,McCarthy, Catherine,Tomkinson, Matthew,Westlund, Neil. "Atroposelectivity in the reactions of ortholithiated aromatic tertiary amides with aldehydes". . p. 2607 - 2616. Retrieved 2007/10/03.