pteridine

• ChemBase ID: 63921
• Molecular Formular: C6H4N4
• Molecular Mass: 132.12276
• Monoisotopic Mass: 132.04359615
• SMILES: c12c(nccn2)cncn1
• Canonical SMILES: c1ncc2c(n1)nccn2
• InChI: InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
• InChIKey: CPNGPNLZQNNVQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pteridine
• IUPAC Traditional name: pteridine
• Synonyms: Pteridine

Database IDs

• CAS Number: 91-18-9
• MDL Number: MFCD11109361
• PubChem SID: 162029660
• PubChem CID: 1043
• Unique Ingredient Identifier: 6EZF26XQ81
• Wikipedia Title: Pteridine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.29982123
• LogD (pH = 7.4): -0.2994324
• Log P: -0.29942745
• Molar Refractivity: 35.6875 cm^3
• Polarizability: 13.60796 Å^3
• Polar Surface Area: 51.56 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%