(2-methoxyphenyl)methanamine

• ChemBase ID: 89451
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: NCc1c(cccc1)OC
• Canonical SMILES: COc1ccccc1CN
• InChI: InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
• InChIKey: PXJACNDVRNAFHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)methanamine
• IUPAC Traditional name: 2-methoxy-benzylamine
• Synonyms: (2-methoxyphenyl)methanamine; (2-Methoxyphenyl)methanamine; (o-Anisylmethyl)amine; 1-(2-Methoxyphenyl)methanamine; 1-[2-(Methyloxy)phenyl]methanamine; 2-Methoxybenzenemethanamine; 2-Methoxyphenylmethylamine; o-Methoxybenzenemethanamine; o-Methoxybenzylamine; 2-Methoxybenzylamine; 2-Methoxybenzylamine; (2-Methoxyphenyl)methylamine; 2-(Aminomethyl)anisole; 2-Methoxybenzylamine 97%; 2-甲氧基苄胺; 2-甲氧基苯甲基胺

Database IDs

• CAS Number: 6850-57-3
• EC Number: 229-941-7
• MDL Number: MFCD00008110
• Beilstein Number: 1100448
• PubChem SID: 24883592; 162076331; 24849838
• PubChem CID: 81292

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9545962
• LogD (pH = 7.4): -0.6185997
• Log P: 0.941343
• Molar Refractivity: 40.9946 cm^3
• Polarizability: 16.221045 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 227 °C/724 mmHg(lit.); 228-229°C; 228-229°C
• Flash Point: 100 °C; 100°C; 100°C(212°F); 212 °F
• Density: 1.051 g/mL at 25 °C(lit.); 1.057
• Refractive Index: 1.5480; n20/D 1.548; n20/D 1.548(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Irritant/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: ≥95.0% (GC); 98%; 98+%
• Grade: purum
• Linear Formula: CH3OC6H4CH2NH2

DETAILS

Sigma Aldrich - 159883

Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - M261040

2-Methoxybenzylamine is a 2-methoxy derivative of benzylamine. 2-Methoxybenzylamine is one the the metabolites detected in urine after metabolism of dopamine analogues. 2-Methoxybenzylamine is used in the preparation of GABAA receptor ligands as analgesic

REFERENCES

• Goodwin, B.L. et al.: Xenobiotica, 24, 129 (1994)
• Guerrini, G. et al.: Biiorg. Med. Chem., 19, 7441 (1994)