beta-Alanine, N-(2-carboxyethyl)-N-nitro-

Base Information

• Chemical Name: beta-Alanine, N-(2-carboxyethyl)-N-nitro-
• CAS No.: 99-69-4
• Molecular Formula: C6H10N2O6
• Molecular Weight: 206.155
• Hs Code.: 2922499990
• European Community (EC) Number: 202-779-4
• NSC Number: 206121
• UNII: 9PVE4YHT6P
• DSSTox Substance ID: DTXSID9059200
• Wikidata: Q81988693
• Mol file: 99-69-4.mol

Synonyms:99-69-4;beta-Alanine, N-(2-carboxyethyl)-N-nitro-;3,3'-Nitroiminodipropionic acid;3,3'-(nitroimino)dipropanoic acid;.beta.-Alanine, N-(2-carboxyethyl)-N-nitro-;2,2'-Dicarboxy-N-nitrodiethylamine acid;N-(2-Carboxyethyl)-N-nitro-beta-alanine;3-[2-carboxyethyl(nitro)amino]propanoic acid;EINECS 202-779-4;Propionic acid, 3,3'-nitroiminodi-;NSC 206121;BRN 1795030;4-nitro-4-azaheptanedioic acid;3,3'-(nitroazanediyl)dipropanoic acid;NSC-206121;Propionic acid, 3,3'-(nitroimino)di-;3-04-00-01292 (Beilstein Handbook Reference);9PVE4YHT6P;DTXSID9059200;Propionic acid,3'-(nitroimino)di-;C6-H10-N2-O6;NSC206121;AKOS024356355;N-(2-carboxyethyl)-N-nitro-beta-alanin;3-(2-carboxyethyl-nitroamino)propanoic acid;LS-124812;N-(2-Carboxyethyl)-N-nitro-.beta.-alanine;2,2-bis(2-carboxyethyl)-1-oxo-1-hydraziniumolate

Chemical Property of beta-Alanine, N-(2-carboxyethyl)-N-nitro-

Chemical Property:

• Refractive Index: 1.5010 (estimate)
• Boiling Point: 548.8 °C at 760 mmHg
• Flash Point: 285.7 °C
• PSA: 123.66000
• Density: 1.506 g/cm³
• LogP: -0.04730
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 206.05388604
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

3,3'-(NITROAZANEDIYL)DIPROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN(CCC(=O)O)[N+](=O)[O-])C(=O)O

Technology Process of beta-Alanine, N-(2-carboxyethyl)-N-nitro-

There total 3 articles about beta-Alanine, N-(2-carboxyethyl)-N-nitro- 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:

di(2-carboxyethyl)amine (505-47-5) → 3,3'-nitroimino-di-propionic acid (99-69-4)

Guidance literature:

With nitric acid; acetic anhydride; zinc(II) chloride; at 15 ℃;

Reference yield:

3,3'-Iminodipropionitrile (111-94-4) → 3,3'-nitroimino-di-propionic acid (99-69-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HNO₃

2: acetic acid anhydride; ZnCl₂; HNO₃ / 15 °C

With nitric acid; acetic anhydride; zinc(II) chloride;

Reference yield:

nitric acid (7697-37-2,78989-43-2) + 3,3'-imino-di-propionic acid ; nitrate + acetic anhydride (108-24-7) → 3,3'-nitroimino-di-propionic acid (99-69-4)

Guidance literature:

at 15 ℃;

upstream raw materials:

di(2-carboxyethyl)amine

nitric acid

acetic anhydride

3,3'-Iminodipropionitrile

Downstream raw materials:

4-Nitro-4-aza-heptandisaeure-1,7-dichlorid