N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID

Base Information

• Chemical Name: N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID
• CAS No.: 61445-55-4
• Molecular Formula: C₅H₁₀N₂O₃
• Molecular Weight: 146.146
• European Community (EC) Number: 845-897-7
• UNII: 7K7252TZ54
• DSSTox Substance ID: DTXSID7040239
• Nikkaji Number: J77.605J
• Wikidata: Q81984107
• Mol file: 61445-55-4.mol

Synonyms:N-Methyl-N-(3-carboxypropyl)nitrosamine

Chemical Property of N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID

Chemical Property:

• Vapor Pressure: 2.74E-06mmHg at 25°C
• Melting Point: >25 °C
• Refractive Index: 1.4954 (estimate)
• Boiling Point: 364°C at 760 mmHg
• PKA: 4.57±0.10(Predicted)
• Flash Point: 173.9°C
• PSA: 69.97000
• Density: 1.22g/cm³
• LogP: 0.46440
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Soluble), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Meth
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 146.06914219
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

N-Nitroso-N-methyl-4-aminobutyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCCC(=O)O)N=O

Technology Process of N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID

There total 2 articles about N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID 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:

4-(methylamino)butyric acid (1119-48-8) → N-nitroso-N-methyl-4-aminobutyric acid (61445-55-4)

Guidance literature:

With perchloric acid; sodium nitrite; at 24.9 ℃; Kinetics; Mechanism;

DOI:10.1002/(sici)1097-4601(1997)29:7<495::aid-kin3>3.0.co;2-p

Reference yield:

N-methyl-N-(4-hydroxybutyl)nitrosamine (51938-16-0,74778-52-2,74778-70-4) → N-nitroso-N-methyl-4-aminobutyric acid (61445-55-4)

Guidance literature:

With potassium hydroxide; potassium permanganate;

DOI:10.1248/cpb.26.3909

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + N-nitroso-N-methyl-4-aminobutyric acid (61445-55-4) → C6H12N2O3 (51938-17-1)

Guidance literature:

In diethyl ether;

upstream raw materials:

N-methyl-N-(4-hydroxybutyl)nitrosamine

4-(methylamino)butyric acid

Downstream raw materials:

C₁₃H₁₅BrN₂O₄

C₆H₁₂N₂O₃