Amp-4-(N-2-chloroethyl-N-methylamino)benzylamidate

Base Information

• Chemical Name: Amp-4-(N-2-chloroethyl-N-methylamino)benzylamidate
• CAS No.: 32455-51-9
• Molecular Formula: C20H27 Cl N7 O6 P
• Molecular Weight: 527.898441
• DSSTox Substance ID: DTXSID00186196
• Wikidata: Q83057433
• Mol file: 32455-51-9.mol

Synonyms:adenosine monophosphate-4-(N-2-chloroethyl-N-methylamino)benzylamidate;AMP-4-(N-2-chloroethyl-N-methylamino)benzylamidate;AMP-CMB

Chemical Property of Amp-4-(N-2-chloroethyl-N-methylamino)benzylamidate

Chemical Property:

• Boiling Point: 839.5°Cat760mmHg
• Flash Point: 461.5°C
• PSA: 190.92000
• Density: 1.71g/cm³
• LogP: 1.58160
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 527.1448963
• Heavy Atom Count: 35
• Complexity: 738

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCCl)C1=CC=C(C=C1)CNP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O
• Isomeric SMILES: CN(CCCl)C1=CC=C(C=C1)CNP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O