(4-methoxyphenyl)methanamine

• ChemBase ID: 52475
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: NCc1ccc(cc1)OC
• Canonical SMILES: NCc1ccc(cc1)OC
• InChI: InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
• InChIKey: IDPURXSQCKYKIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)methanamine
• IUPAC Traditional name: benzenemethanamine, 4-methoxy-
• Synonyms: 4-Methoxybenzylamine; p-METHOXYBENZYLAMINE; (4-methoxyphenyl)methanamine; 4-Methoxybenzylamine; 4-Methoxybenzyl amine; (4-Methoxyphenyl)methylamine; 4-(Aminomethyl)anisole; 4-Methoxybenzylamine 97%; 4-甲氧基苄胺

Database IDs

• CAS Number: 2393-23-9
• EC Number: 219-247-2
• MDL Number: MFCD00008122
• Beilstein Number: 508206
• PubChem SID: 24896615; 162057238
• PubChem CID: 75452

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0470333
• LogD (pH = 7.4): -1.1116798
• Log P: 0.941343
• Molar Refractivity: 40.9946 cm^3
• Polarizability: 16.220797 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -10°C
• Boiling Point: 236-237 °C(lit.); 236-237°C; 236-237°C; 64-66°C
• Flash Point: >110 °C; >110°C; >230 °F; 110 °C; 114°C(237°F); 230 °F
• Density: 1.05; 1.05 g/mL at 25 °C(lit.); 1.053
• Refractive Index: 1.5460; n20/D 1.546(lit.); n20/D 1.547

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Harmful/Moisture Sensitive/Store under Argon; IRRITANT, AIR SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 22-34; 22-34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H302-H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-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); 97%; 98%; 98+%
• Grade: purum
• Linear Formula: CH3OC6H4CH2NH2

DETAILS

MP Biomedicals - 05208407

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M11103

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 64851

Caution
may discolor to yellow on storage