3,7-Dimethyl-8-azaxanthin

Base Information

• Chemical Name: 3,7-Dimethyl-8-azaxanthin
• CAS No.: 1632-29-7
• Molecular Formula: C₆H₇N₅O₂
• Molecular Weight: 181.154
• NSC Number: 94212
• UNII: C20V6CWK8F
• DSSTox Substance ID: DTXSID20167528
• Nikkaji Number: J40.775E
• Wikidata: Q83036921
• Mol file: 1632-29-7.mol

Synonyms:1632-29-7;3,7-Dimethyl-8-azaxanthin;1,4-dimethyltriazolo[4,5-d]pyrimidine-5,7-dione;1H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 1,4-dimethyl-;C20V6CWK8F;NSC-94212;1H-1,2,3-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 1,4-dimethyl-;1,4-Dimethyl-1H-1,2,3-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione;1,4-Dimethyl-1H-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione;NSC 94212;BRN 0529411;3,7-dimethyl-8-azaxanthine;NSC94212;1,4-Dimethyl-1H-s-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione;1,4-Dimethyl-1H-v-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione;1H-s-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 1,4-dimethyl-;UNII-C20V6CWK8F;SCHEMBL17526406;DTXSID20167528;UFLYXBDGSAGNAR-UHFFFAOYSA-N;1,5-d]pyrimidine-5,7(4H,6H)-dione;A810724;1H-s-Triazolo[4,7(4H,6H)-dione, 1,4-dimethyl-;1,4-Dimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione;Triethyl Orthobenzoate;1H-1,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 1,4-dimethyl-

Chemical Property of 3,7-Dimethyl-8-azaxanthin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 85.57000
• Density: 1.79g/cm³
• LogP: -1.64470
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 181.05997448
• Heavy Atom Count: 13
• Complexity: 268

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(N=N1)N(C(=O)NC2=O)C