3-Pyrroline, N-nitroso-

Base Information

• Chemical Name: 3-Pyrroline, N-nitroso-
• CAS No.: 10552-94-0
• Molecular Formula: C₄H₆N₂O
• Molecular Weight: 98.1044
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20147168
• Nikkaji Number: J2.274H
• Wikidata: Q83012353
• ChEMBL ID: CHEMBL350052
• Mol file: 10552-94-0.mol

Synonyms:N-Nitroso-3-pyrroline;3-PYRROLINE, N-NITROSO-;10552-94-0;1-Nitroso-3-pyrroline;Nitroso-3-pyrrolin;1-nitroso-2,5-dihydropyrrole;2,5-Dihydro-1-nitroso-1H-pyrrole;Nitroso-3-pyrrolin [German];Nitroso-3-pyrroline;BRN 0106739;3-Pyrroline, 1-nitroso-;1H-Pyrrole, 2,5-dihydro-1-nitroso-;5-20-04-00277 (Beilstein Handbook Reference);CHEMBL350052;DTXSID20147168;1-Nitroso-2,5-dihydro-1H-pyrrole;LS-139055

Chemical Property of 3-Pyrroline, N-nitroso-

Chemical Property:

• Vapor Pressure: 0.167mmHg at 25°C
• Refractive Index: 1.4327 (estimate)
• Boiling Point: 220.5°Cat760mmHg
• PKA: -4.77±0.20(Predicted)
• Flash Point: 87.1°C
• PSA: 32.67000
• Density: 1.21g/cm³
• LogP: 0.47750
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.048012819
• Heavy Atom Count: 7
• Complexity: 91.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrroles
• Canonical SMILES: C1C=CCN1N=O

Technology Process of 3-Pyrroline, N-nitroso-

There total 2 articles about 3-Pyrroline, N-nitroso- 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: 55.0%

3-Pyrroline (109-96-6,760178-50-5) → N-Nitroso-3-pyrrolin (10552-94-0)

Guidance literature:

With sodium nitrite; In acetic acid; at 0 ℃; for 2h;

DOI:10.1021/ja010917d

Reference yield:

→ N-Nitroso-3-pyrrolin (10552-94-0)

Guidance literature:

With potassium nitrite; sulfuric acid;

upstream raw materials:

3-Pyrroline

Refernces