Aminopterin N-hydroxysuccinimide ester

Base Information

• Chemical Name: Aminopterin N-hydroxysuccinimide ester
• CAS No.: 98457-88-6
• Molecular Formula: C24H25N9O7
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90243580
• Wikidata: Q83127676
• Mol file: 98457-88-6.mol

Synonyms:aminopterin N-hydroxysuccinimide ester;N-hydroxysuccinimide aminopterin;NHS-aminopterin

Chemical Property of Aminopterin N-hydroxysuccinimide ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 237.65000
• Density: 1.59g/cm³
• LogP: 0.63110
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 551.18769417
• Heavy Atom Count: 40
• Complexity: 960

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)ON4C(=O)CCC4=O)C(=O)O
• Isomeric SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)ON4C(=O)CCC4=O)C(=O)O

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