4-methoxy-2-methylaniline

• ChemBase ID: 20502
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(ccc(c1)OC)N)C
• Canonical SMILES: COc1ccc(c(c1)C)N
• InChI: InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
• InChIKey: CDGNLUSBENXDGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2-methylaniline
• IUPAC Traditional name: 4-methoxy-2-methylaniline
• Synonyms: 4-Methoxy-2-methylaniline; 2-Amino-5-methoxytoluene; 4-Amino-3-methylanisole; 2-Methyl-p-anisidine; 4-Methoxy-o-toluidine; 4-Methoxy-2-methylaniline 98%; m-Cresidine; 4-Methoxy-2-methylaniline; 6-AMINO-3-METHOXYTOLUENE; 2-甲基-对茴香胺; 间甲酚定; 4-甲氧基-2-甲基苯胺

Database IDs

• CAS Number: 102-50-1
• EC Number: 203-036-7
• MDL Number: MFCD00007735
• Beilstein Number: 774727
• PubChem SID: 160983809; 24896654; 24883775
• PubChem CID: 7610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3818203
• LogD (pH = 7.4): 1.4983593
• Log P: 1.50007
• Molar Refractivity: 42.2628 cm^3
• Polarizability: 15.750857 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 13 - 14°C; 13-14 °C(lit.); 13-14°C; 13-14°C
• Boiling Point: 248-249 °C(lit.); 248-249°C; 248-249°C
• Flash Point: 109 °C; 124°C; 124°C(255°F); 228.2 °F
• Density: 1.065; 1.065 g/mL at 25 °C(lit.); 1.08
• Refractive Index: 1.5685; n20/D 1.565(lit.); n20/D 1.570
• Hydrophobicity(logP): 1.453

Safety Information

• Storage Warning: Harmful/Mutagenic/Carcinogenic; IRRITANT
• RTECS: BZ6730000
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-40; 36/37/38
• Safety Statements: 26; 9-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312-H351
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95%; 98%
• Grade: technical
• Linear Formula: CH3OC6H3(CH3)NH2

DETAILS

MP Biomedicals - 05215467

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M15001

Packaging
5, 25 g in glass bottle