L-Glutamic acid, N-(4-(((2,4-diamino-5-chloro-6-quinazolinyl)amino)methyl)benzoyl)-

Base Information

• Chemical Name: L-Glutamic acid, N-(4-(((2,4-diamino-5-chloro-6-quinazolinyl)amino)methyl)benzoyl)-
• CAS No.: 97541-74-7
• Molecular Formula: C21H21ClN6O5
• Molecular Weight: 472.8816
• DSSTox Substance ID: DTXSID90913872
• Nikkaji Number: J413.052I
• Wikidata: Q82884580
• Mol file: 97541-74-7.mol

Synonyms:5-CDDIAP;5-chloro-5,8-dideazaisoaminopterin

Chemical Property of L-Glutamic acid, N-(4-(((2,4-diamino-5-chloro-6-quinazolinyl)amino)methyl)benzoyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 193.55000
• Density: 1.562g/cm³
• LogP: 3.73380
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 472.1261955
• Heavy Atom Count: 33
• Complexity: 707

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl)C(=O)NC(CCC(=O)O)C(=O)O
• Isomeric SMILES: C1=CC(=CC=C1CNC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O

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