Heptylamine

Base Information

• Chemical Name: Heptylamine
• CAS No.: 111-68-2
• Molecular Formula: C7H17 N
• Molecular Weight: 115.219
• Hs Code.: 29211999
• European Community (EC) Number: 203-895-8
• NSC Number: 2074
• DSSTox Substance ID: DTXSID7020681
• Nikkaji Number: J45.690J
• Wikidata: Q788864
• ChEMBL ID: CHEMBL3561940
• Mol file: 111-68-2.mol

Synonyms:Heptylamine;1-Aminoheptane;111-68-2;heptan-1-amine;1-Heptanamine;N-HEPTYLAMINE;1-Heptylamine;Heptanamine;heptyl-amine;NSC 2074;EINECS 203-895-8;BRN 1731688;AI3-24038;DTXSID7020681;4-04-00-00734 (Beilstein Handbook Reference);heptyl amine;Heptylamine normal;NSC2074;Heptylamine, 99%;Heptylamine Reagent Grade;SCHEMBL24269;DTXCID50681;CH3(CH2)6NH2;CHEMBL3561940;WJYIASZWHGOTOU-UHFFFAOYSA-;CHEBI:182628;NSC-2074;Tox21_201004;MFCD00008244;AKOS009075808;NCGC00090981-01;NCGC00090981-02;NCGC00258557-01;AS-47952;CAS-111-68-2;LS-74713;FT-0607345;H0045;EN300-22060;F17097;A802395;Q788864;W-109414;F9995-1631

Chemical Property of Heptylamine

Chemical Property:

• Appearance/Colour: CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID
• Vapor Pressure: 2.89mmHg at 25°C
• Melting Point: -23
• Refractive Index: n20/D 1.424(lit.)
• Boiling Point: 157
• PKA: 10.67(at 25℃)
• Flash Point: 44 ºC
• PSA: 26.02000
• Density: 0.777
• LogP: 2.61580
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water 6791 mg/L @ 25°C.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 115.136099547
• Heavy Atom Count: 8
• Complexity: 35.4

Purity/Quality:

98% ^*data from raw suppliers

1-Aminoheptane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCN
• Uses: Heptylamine is used in organic syntheses. 1-Heptylamine has been used as an internal standard in the determination of biogenic monoamines and biogenic diamines by the fluorescence-HPLC method. It has also been used to study the effect of hydration on the gaseous structure of protonated heptylamine by infrared photo dissociation (IRPD) spectroscopy and computational chemistry. 1-Aminoheptane can be used to prepare implantable devices having antibacterial properties and multifunctional surfaces.

Technology Process of Heptylamine

There total 72 articles about Heptylamine 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: 98.0%

1-azidoheptane (44961-22-0) → 1-Heptylamine (111-68-2)

Guidance literature:

With magnesium; In methanol; for 0.25h;

Reference yield: 91.0%

n-heptan1ol (111-70-6) → 1-Heptylamine (111-68-2)

Guidance literature:

With aminedehydrogenase; ammonia; ammonium chloride; at 30 ℃; for 48h; pH=8.7; Enzymatic reaction;

DOI:10.1126/science.aac9283

Reference yield: 90.0%

(Z)-7-azidohepta-1,3-diene (127611-47-6) → 1-Heptylamine (111-68-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/S0040-4039(01)80552-9

upstream raw materials:

heptanal

1-Chloroheptane

1-Bromoheptane

1-nitroheptane

Downstream raw materials:

n-heptyldiethanolamine

N-heptyl-2-aminopyridine

dichloro-acetic acid heptylamide

9-heptylaminoacridine

Refernces

• 1、 Adkins,Wojcik. "-". . p. 247. Retrieved 1934.
• 2、 Lange,Elangovan,Cordes,Spannenberg,Jiao,Junge,Bachmann,Scalone,Topf,Junge,Beller. "Selective catalytic hydrogenation of nitriles to primary amines using iron pincer complexes". . p. 4768 - 4772. Retrieved 2016.
• 3、 Han, Bo,Jiao, Haijun,Wu, Lipeng,Zhang, Jiong. "Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application". . p. 2059 - 2067. Retrieved 2021/09/02.
• 4、 Ben-David, Yehoshoa,Kar, Sayan,Kumar, Amit,Leitus, Gregory,Milstein, David,Rauch, Michael. "Selective Room-Temperature Hydrogenation of Amides to Amines and Alcohols Catalyzed by a Ruthenium Pincer Complex and Mechanistic Insight". . p. 5511 - 5515. Retrieved 2020/07/21.