Tuaminoheptane

Base Information

• Chemical Name: Tuaminoheptane
• CAS No.: 123-82-0
• Deprecated CAS: 7795-34-8
• Molecular Formula: C7H17N
• Molecular Weight: 115.219
• Hs Code.: 2921 19 99
• European Community (EC) Number: 204-655-5
• NSC Number: 27160,1091
• UNII: Z0420GYD84
• DSSTox Substance ID: DTXSID6048468
• Nikkaji Number: J5.544A
• Wikipedia: Tuaminoheptane
• Wikidata: Q4000097
• NCI Thesaurus Code: C152777
• Pharos Ligand ID: MPYK73F88MN4
• Metabolomics Workbench ID: 154068
• ChEMBL ID: CHEMBL123693
• Mol file: 123-82-0.mol

Synonyms:1-methylhexylamine;2-heptylamine;heptedrine;tuamine;tuamine hydrochloride;tuamine sulfate;tuamine sulfate (2:1);tuaminoheptane;tuaminoheptane sulfate

Chemical Property of Tuaminoheptane

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 4.86mmHg at 25°C
• Melting Point: -19°C (estimate)
• Refractive Index: n20/D 1.418(lit.)
• Boiling Point: 145.428 °C at 760 mmHg
• PKA: 10.7(at 19℃)
• Flash Point: 54.444 °C
• PSA: 26.02000
• Density: 0.778 g/cm³
• LogP: 2.61420
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water ( 9 g/L at 20°C).
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.136099547
• Heavy Atom Count: 8
• Complexity: 43.7

Purity/Quality:

97% ^*data from raw suppliers

1-Methylhexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 10-36/37/38-34-20/21/22-R34-R20/21/22-R10
• Safety Statements: 26-36-45-36/37/39-16-S45-S36/37/39-S26-S16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCC(C)N
• Uses: 2-Aminoheptane is a potent adrenergic vasoconstrictor that has been used as a pharmaceutical preparation (Tuamine). It is also used in organic syntheses. topical antibacterial (topical) 2-Heptylamine is used as a reagent in the synthesis of human A3 adenosine receptor antagonists

Technology Process of Tuaminoheptane

There total 90 articles about Tuaminoheptane 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: 94.0%

2-nitroheptane (617-72-1) → 2-heptylamine (123-82-0)

Guidance literature:

2-nitroheptane; With nickel boride; In water; at 20 ℃; for 0.0833333h; Green chemistry;

With sodium tetrahydroborate; In water; at 20 ℃; for 0.2h; Green chemistry;

DOI:10.1007/s13738-014-0585-5

Reference yield:

C36H60O30*C7H17N → 2-heptylamine (123-82-0) + alpha cyclodextrin (10016-20-3)

Guidance literature:

With phosphate buffer; In water-d2; at 25 ℃; Equilibrium constant; Thermodynamic data; standard molar enthalpy Δ_rH⁰, standard molar Gibbs energy Δ_rG⁰, standard molar entropy Δ_rS⁰;

DOI:10.1021/jp962715n

Reference yield:

C10H21NOS (1056469-62-5) → methylsulfanyl-acetic acid (2444-37-3) + (R)-2-heptylamine (123-82-0,6240-90-0,7795-34-8,44745-29-1)

Guidance literature:

With novozyme 435; water; at 70 ℃; for 120h; pH=7; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1002/adsc.200800091

upstream raw materials:

n-pentyl methyl ketone

ammonium formate

Methyl-pentyl-ketoxim

2-nitroheptane

Downstream raw materials:

(S)-2-heptylamine

4,4'-ethanediyldioxy-di-benzaldehyde bis-(1-methyl-hexylimine)

N-cyclohexyl-2-aminoheptane

N-benzyl-(1-methyl)hexylamine