Isopropylamine

Base Information

• Chemical Name: Isopropylamine
• CAS No.: 75-31-0
• Deprecated CAS: 85404-24-6
• Molecular Formula: C3H9N
• Molecular Weight: 59.1112
• European Community (EC) Number: 200-860-9
• ICSC Number: 0908
• NSC Number: 62775
• UN Number: 1221
• UNII: P8W26T4MTD
• DSSTox Substance ID: DTXSID2025682
• Nikkaji Number: J1.451F
• Wikipedia: Isopropylamine
• Wikidata: Q420554
• Metabolomics Workbench ID: 50241
• ChEMBL ID: CHEMBL117080
• Mol file: 75-31-0.mol

Synonyms:2-propylamine;2-propylamine hydrochloride;2-propylamine sulfite;isopropylamine

Chemical Property of Isopropylamine

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -101 °C
• Refractive Index: n20/D 1.374(lit.)
• Boiling Point: 30.9 °C at 760 mmHg
• PKA: 10.68±0.25(Predicted)
• Flash Point: ?26°F
• PSA: 26.02000
• Density: 0.719 g/cm³
• LogP: 1.05380
• Water Solubility.: soluble
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 59.073499291
• Heavy Atom Count: 4
• Complexity: 10.8
• Transport DOT Label: Flammable Liquid Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F+,Xi
• Hazard Codes: F+:Highly flammable
• Statements: R12:; R36/37/38:
• Safety Statements: S16:; S26:; S29:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CC(C)N
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation may cause lung oedema, but only after initial corrosive effects on eyes and/or airways have become manifest. If swallowed the substance easily enters the airways and could result in aspiration pneumonitis. Exposure above the OEL could cause death.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.

Technology Process of Isopropylamine

There total 154 articles about Isopropylamine 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: 97.0%

2-nitropropane (79-46-9) → isopropylamine (75-31-0)

Guidance literature:

With hydrogen; In methanol; water; at 140 ℃; for 24h; under 30003 Torr; Sealed tube; Autoclave;

DOI:10.1002/cctc.202100045

Reference yield: 94.3%

→ (RS)-atenolol (29122-68-7) + isopropylamine (75-31-0)

Guidance literature:

Reference yield: 90.69%

acetone (67-64-1) → isopropylamine (75-31-0)

Guidance literature:

With ammonia; hydrogen; at 153 ℃; under 760.051 Torr; Reagent/catalyst;

DOI:10.1007/s11426-015-5541-4

upstream raw materials:

2-iodo-propane

potassium phtalimide

potassium cyanide

N-isopropylphthalimide

Downstream raw materials:

i-propyl(2-(hydroxy)ethyl)amine

N,N-bis(2-hydroxyethyl)isopropylamine

5-isopropylamino-1-pentanol

N-isopropyl-2-pyrrolidone

Refernces

• 1、 Hong, Eunpyo,Bang, Seonu,Cho, Jun Hee,Jung, Kwang Deog,Shin, Chae-Ho. "Reductive amination of isopropanol to monoisopropylamine over Ni-Fe/Γ-Al2O3 catalysts: Synergetic effect of Ni-Fe alloy formation". . p. 146 - 153. Retrieved 2017.
• 2、 García-Domínguez, Andrés,Gonzalez, Jorge A.,Leach, Andrew G.,Lloyd-Jones, Guy C.,Nichol, Gary S.,Taylor, Nicholas P.. "A Lewis Base Nucleofugality Parameter, NFB, and Its Application in an Analysis of MIDA-Boronate Hydrolysis Kinetics". supporting information. . Retrieved 2022/01/04.
• 3、 Deng, Weiping,Wang, Yunzhu,Zhang, Sui,Gupta, Krishna M.,Hülsey, Max J.,Asakura, Hiroyuki,Liu, Lingmei,Han, Yu,Karp, Eric M.,Beckham, Gregg T.,Dyson, Paul J.,Jiang, Jianwen,Tanaka, Tsunehiro,Wang, Ye,Yan, Ning. "Catalytic amino acid production from biomass-derived intermediates". . p. 5093 - 5098. Retrieved 2018/05/23.