Neocitrullamon

Base Information

• Chemical Name: Neocitrullamon
• CAS No.: 38964-88-4
• Deprecated CAS: 102518-33-2,856636-29-8
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.3984
• European Community (EC) Number: 254-223-5
• UNII: 7L5LMT7B2H
• DSSTox Substance ID: DTXSID50959812
• Nikkaji Number: J319.877D
• Wikipedia: Neocitrullamon
• Wikidata: Q27268499
• Metabolomics Workbench ID: 154207
• ChEMBL ID: CHEMBL3707389
• Mol file: 38964-88-4.mol

Synonyms:neocitrullamon;Phenytoin-3-norvaline;Citrullamon V;38964-88-4;amino(diphenylhydantoin) valeric acid;2-Amino-5-(5,5-diphenylhydantoin-3-yl)valeric acid;EINECS 254-223-5;UNII-7L5LMT7B2H;7L5LMT7B2H;Neo-citrullamin;CHEMBL3707389;DTXSID50959812;CHEBI:134734;DB13396;Q27268499;alpha-Amino-2,5-dioxo-4,4-diphenylimidazolidine-1-valeric acid;1-IMIDAZOLIDINEPENTANOIC ACID, .ALPHA.-AMINO-2,5-DIOXO-4,4-DIPHENYL-

Chemical Property of Neocitrullamon

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 116.22000
• Density: 1.305g/cm³
• LogP: 1.95230
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 367.15320616
• Heavy Atom Count: 27
• Complexity: 550

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCC(C(=O)O)N)C3=CC=CC=C3