6-(dimethoxymethyl)-2,3-dimethoxypyridine

• ChemBase ID: 32952
• Molecular Formular: C10H15NO4
• Molecular Mass: 213.2304
• Monoisotopic Mass: 213.10010797
• SMILES: c1(c(nc(cc1)C(OC)OC)OC)OC
• Canonical SMILES: COC(c1ccc(c(n1)OC)OC)OC
• InChI: InChI=1S/C10H15NO4/c1-12-8-6-5-7(10(14-3)15-4)11-9(8)13-2/h5-6,10H,1-4H3
• InChIKey: AJJXKTWRPZBQJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethoxymethyl)-2,3-dimethoxypyridine
• IUPAC Traditional name: 6-(dimethoxymethyl)-2,3-dimethoxypyridine
• Synonyms: 6-(Dimethoxymethyl)-2,3-dimethoxypyridine; 6-(Dimethoxymethyl)-2,3-dimethoxypyridine

Database IDs

• CAS Number: 1142191-61-4
• MDL Number: MFCD11857666
• PubChem SID: 160996259
• PubChem CID: 46736826

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3463191
• LogD (pH = 7.4): 1.3463237
• Log P: 1.3463238
• Molar Refractivity: 54.1355 cm^3
• Polarizability: 21.421223 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H15NO4

DETAILS

Sigma Aldrich - ADE000529

Other Notes
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