2-({2-[(2-Amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid

Base Information

• Chemical Name: 2-({2-[(2-Amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid
• CAS No.: 3484-65-9
• Molecular Formula: C10H17 N3 O8
• Molecular Weight: 307.26
• Wikipedia: Aspergillomarasmine_A
• Wikidata: Q77484693
• Metabolomics Workbench ID: 43852
• Mol file: 3484-65-9.mol

Synonyms:aspergillomarasmine A;toxin C, Pyrenophora teres

Chemical Property of 2-({2-[(2-Amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid

Chemical Property:

• Vapor Pressure: 6.76E-18mmHg at 25°C
• Boiling Point: 637.6°Cat760mmHg
• PKA: 2.12±0.23(Predicted)
• Flash Point: 339.4°C
• PSA: 199.28000
• Density: 1.579g/cm³
• LogP: -1.55930
• XLogP3: -10
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 307.10156451
• Heavy Atom Count: 21
• Complexity: 413

Purity/Quality:

99%, ^*data from raw suppliers

ASPERGILLOMARASMINE A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)NCC(C(=O)O)NCC(C(=O)O)N)C(=O)O