4-(2-aminoethyl)aniline

• ChemBase ID: 10610
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1c(ccc(c1)CCN)N
• Canonical SMILES: NCCc1ccc(cc1)N
• InChI: InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2
• InChIKey: LNPMZQXEPNWCMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminoethyl)aniline
• IUPAC Traditional name: 4-(2-aminoethyl)aniline
• Synonyms: 4-(2-Aminoethyl)aniline; 4-(2-aminoethyl)aniline; 4-Aminophenethylamine; 4-(2-Aminoethyl)aniline; 4-Aminophenethylamine; 4-AMINO-β-PHENYLETHYLAMINE; 2-(4-AMINOPHENYL)ETHYLAMINE; 2-(4-Aminophenyl)ethylamine; 4-氨基苯乙胺; 4-(2-氨基)苯乙胺; 2-(4-氨基苯基)乙胺

Database IDs

• CAS Number: 13078-82-5; 13472-00-9
• EC Number: 236-739-2
• MDL Number: MFCD00008194
• Beilstein Number: 1099913
• PubChem SID: 160973917; 24847518; 24846259
• PubChem CID: 72895

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5172741
• LogD (pH = 7.4): -1.8123807
• Log P: 0.5587495
• Molar Refractivity: 43.9868 cm^3
• Polarizability: 16.624899 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-31 °C(lit.); 28-31°C
• Boiling Point: 103 °C/0.3 mmHg(lit.); 103°C/0.3mm; 103°C/0.3mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.034 g/mL at 25 °C(lit.); 1.057
• Refractive Index: 1.5910; n20/D 1.591(lit.)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3259; UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 20/21/22-34; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H314-H318; H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-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 3259 8/PG 2

Product Information

• Purity: ≥97.0% (NT); 97%; 98%
• Grade: purum
• Linear Formula: H2NC6H4CH2CH2NH2

DETAILS

MP Biomedicals - 05205976

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 123056

Application
Reagent used in polycondensation reactions.1,2,3
Packaging
1, 5, 10 g in glass bottle