Ethyl 4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoate

Base Information

• Chemical Name: Ethyl 4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoate
• CAS No.: 23853-08-9
• Molecular Formula: C16H17 N7 O2
• Molecular Weight: 339.3519
• NSC Number: 128301
• DSSTox Substance ID: DTXSID20299116
• Wikidata: Q82041324
• ChEMBL ID: CHEMBL175270
• Mol file: 23853-08-9.mol

Synonyms:ethyl 4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoate;23853-08-9;ethyl 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoate;NSC128301;CHEMBL175270;DTXSID20299116;NSC-128301

Chemical Property of Ethyl 4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoate

Chemical Property:

• Vapor Pressure: 9.61E-16mmHg at 25°C
• Boiling Point: 629.2°Cat760mmHg
• Flash Point: 334.3°C
• PSA: 141.93000
• Density: 1.44g/cm³
• LogP: 2.60840
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 339.14437281
• Heavy Atom Count: 25
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

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