N-{(1S)-1-Carboxy-4-[(diaminomethylidene)amino]butyl}aspartic acid

Base Information

• Chemical Name: N-{(1S)-1-Carboxy-4-[(diaminomethylidene)amino]butyl}aspartic acid
• CAS No.: 21020-81-5
• Molecular Formula: C10H20N4O6
• Molecular Weight: 292.289
• DSSTox Substance ID: DTXSID50692954
• Mol file: 21020-81-5.mol

Synonyms:SCHEMBL860149;DTXSID50692954;N-{(1S)-1-Carboxy-4-[(diaminomethylidene)amino]butyl}aspartic acid

Chemical Property of N-{(1S)-1-Carboxy-4-[(diaminomethylidene)amino]butyl}aspartic acid

Chemical Property:

• PSA: 185.83000
• LogP: -0.19780
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 290.12263431
• Heavy Atom Count: 20
• Complexity: 393

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(C(=O)O)NC(CC(=O)O)C(=O)O)CN=C(N)N
• Isomeric SMILES: C(C[C@@H](C(=O)O)NC(CC(=O)O)C(=O)O)CN=C(N)N