N-ethyl-3-methylaniline

• ChemBase ID: 108300
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: CCNc1cccc(C)c1
• Canonical SMILES: CCNc1cccc(c1)C
• InChI: InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
• InChIKey: GUYMMHOQXYZMJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-methylaniline
• IUPAC Traditional name: benzenamine, N-ethyl-3-methyl-
• Synonyms: N-ETHYL-m-TOLUIDINE; 3-(Ethylamino)toluene; N-Ethyl-3-methylaniline; N-Ethyl-3-aminotoluene; N-Ethyl-m-toluidine; N-Ethyl-3-methylaniline; 3-(乙氨基)甲苯; N-乙基-3-甲基苯胺; 乙氨基间甲苯; N-乙基间甲苯胺

Database IDs

• CAS Number: 102-27-2
• EC Number: 203-019-4
• MDL Number: MFCD00009027
• Beilstein Number: 742170
• PubChem SID: 24845784; 162095135
• PubChem CID: 7603

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.191271
• LogD (pH = 7.4): 2.3144321
• Log P: 2.3162532
• Molar Refractivity: 46.0416 cm^3
• Polarizability: 16.95639 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 221 °C(lit.)
• Flash Point: 192.2 °F; 89 °C
• Density: 0.957 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.546; n20/D 1.546(lit.)

Safety Information

• RTECS: CY0440000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 2754
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25-36/37/38; R:22-36/37/38
• Safety Statements: 26-36/37/39-45; S:25-26-36/37/39
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2754 6.1/PG 2

Product Information

• Purity: ≥98.0% (GC); 95+%
• Linear Formula: CH3C6H4NHC2H5

DETAILS

MP Biomedicals - 05206857

MP Biomedicals Rare Chemical collection