Tetrazole-aminopterin

Base Information

• Chemical Name: Tetrazole-aminopterin
• CAS No.: 127134-21-8
• Molecular Formula: C19H20 N12 O3
• Molecular Weight: 464.4407
• DSSTox Substance ID: DTXSID10925795
• Wikidata: Q82900221
• Mol file: 127134-21-8.mol

Synonyms:gamma-tetrazole-aminopterin;tetrazole-aminopterin

Chemical Property of Tetrazole-aminopterin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.631g/cm³
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 464.17813255
• Heavy Atom Count: 34
• Complexity: 693

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC(CCC2=NNN=N2)C(=O)O)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N
• Isomeric SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC2=NNN=N2)C(=O)O)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N