3,4-dimethoxyaniline

• ChemBase ID: 69456
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: Nc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(N)ccc1OC
• InChI: InChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3
• InChIKey: LGDHZCLREKIGKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethoxyaniline
• IUPAC Traditional name: benzenamine, 3,4-dimethoxy-
• Synonyms: 4-Aminoveratrole; 4-Aminopyrocatechol dimethyl ether; 3,4-Dimethoxyaniline; 4-AMINOVERATROLE; 3,4-Dimethoxyaniline; 3,4-Dimethoxyaniline 98%; Veratrylamine; 1,2-二甲氧基-4-氨基苯; 3,4-二甲氧基苯胺

Database IDs

• CAS Number: 5763-61-1; 6315-89-5
• EC Number: 228-647-6
• MDL Number: MFCD00008394
• Beilstein Number: 743399
• PubChem SID: 162035182; 24864057; 24891330
• PubChem CID: 22770

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.77068144
• LogD (pH = 7.4): 0.82819194
• Log P: 0.82897735
• Molar Refractivity: 43.6848 cm^3
• Polarizability: 16.505096 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-89 °C; 85-89 °C(lit.); 85-89°C; 86-89°C
• Boiling Point: 174-176 °C/22 mmHg(lit.); 174-176°C/22mm; 174-176°C/22mm
• Flash Point: >110°C; >110°C(230°F); 110 °C; 230 °F

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• RTECS: BX4550000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33; 22; R:22-36/37/38
• Safety Statements: 22-24/25; 28-36/37; S:25-26-36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H311-H302-H332-H373
• GHS Precautionary statements: P280H-P302+P352-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%; 98%; 98+%
• Grade: technical
• Linear Formula: H2NC6H3(OCH3)2

DETAILS

MP Biomedicals - 05201043

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A83008

Packaging
10, 25 g in glass bottle