(2,4-dimethoxyphenyl)methanamine hydrochloride

• ChemBase ID: 104928
• Molecular Formular: C9H14ClNO2
• Molecular Mass: 203.66596
• Monoisotopic Mass: 203.07130637
• SMILES: Cl.COc1ccc(CN)c(OC)c1
• Canonical SMILES: COc1cc(OC)ccc1CN.Cl
• InChI: InChI=1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H
• InChIKey: KJOWSAVFSCSBMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dimethoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2,4-dimethoxyphenyl)methanamine hydrochloride
• Synonyms: (2,4-Dimethoxyphenyl)methanamine hydrochloride; 2,4-DIMETHOXYBENZYLAMINE HYDROCHLORIDE; 2,4-Dimethoxybenzylamine hydrochloride; 2,4-二甲氧基苄胺 盐酸盐

Database IDs

• CAS Number: 20781-21-9
• EC Number: 244-036-7
• MDL Number: MFCD00012854
• PubChem SID: 162092308; 24850759
• PubChem CID: 3084343

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1100907
• LogD (pH = 7.4): -0.7687591
• Log P: 0.78367174
• Molar Refractivity: 47.4578 cm^3
• Polarizability: 18.725096 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188-190 °C(lit.)

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: 95+%; 97%
• Linear Formula: (CH3O)2C6H3CH2NH2·HCl

DETAILS

MP Biomedicals - 02157773

Hydrochloride
Crystalline
Protects the amide group in glutamine and asparagine during peptide synthesis.

Sigma Aldrich - 178608

Packaging
25 g in poly bottle