N-(2-aminoethyl)aniline

• ChemBase ID: 111857
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: NCCNc1ccccc1
• Canonical SMILES: NCCNc1ccccc1
• InChI: InChI=1S/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
• InChIKey: OCIDXARMXNJACB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)aniline
• IUPAC Traditional name: N-(2-aminoethyl)aniline
• Synonyms: N-PHENYLETHYLENEDIAMINE; N-(2-Aminoethyl)aniline; N-Phenylethylenediamine; N1-Phenylethane-1,2-diamine; N-(2-aminoethyl)aniline; N-(2-氨基乙基)苯胺; N-苯基乙二胺

Database IDs

• CAS Number: 1664-40-0
• EC Number: 216-773-4
• MDL Number: MFCD00008162
• Beilstein Number: 508205
• PubChem SID: 24898326; 162096792
• PubChem CID: 74270

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3504708
• LogD (pH = 7.4): -1.5083766
• Log P: 0.64904016
• Molar Refractivity: 44.2016 cm^3
• Polarizability: 16.707453 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 262-264 °C(lit.); 262-264°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.041; 1.041 g/mL at 25 °C(lit.)
• Refractive Index: 1.5880; n20/D 1.587; n20/D 1.587(lit.)
• Hydrophobicity(logP): 0.951

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 95%; 95+%; 98%; 99%
• Grade: technical
• Linear Formula: C6H5NHCH2CH2NH2

DETAILS

MP Biomedicals - 05221401

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P24152

Packaging
10, 25 g in glass bottle