(2,6-dimethoxyphenyl)methanamine

• ChemBase ID: 86908
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: NCc1c(cccc1OC)OC
• Canonical SMILES: NCc1c(OC)cccc1OC
• InChI: InChI=1S/C9H13NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,6,10H2,1-2H3
• InChIKey: XEKGMBAKVJAVAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dimethoxyphenyl)methanamine
• IUPAC Traditional name: (2,6-dimethoxyphenyl)methanamine
• Synonyms: (2,6-Dimethoxyphenyl)methylamine; 2,6-Dimethoxybenzylamine 98%; 2,6-Dimethoxybenzylamine; 2,6-二甲氧基苄胺

Database IDs

• CAS Number: 20781-22-0
• EC Number: 000-000-0
• MDL Number: MFCD00052812
• Beilstein Number: 2965661
• PubChem SID: 162074024
• PubChem CID: 2800872

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8990172
• LogD (pH = 7.4): -0.28845397
• Log P: 0.78367174
• Molar Refractivity: 47.4578 cm^3
• Polarizability: 18.72534 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-87°C; 83-87°C
• Boiling Point: 108-110°C/1mm; 108-110°C/1mm

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%