(2-aminoethyl)(hexyl)amine

• ChemBase ID: 144923
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: CCCCCCNCCN
• Canonical SMILES: CCCCCCNCCN
• InChI: InChI=1S/C8H20N2/c1-2-3-4-5-7-10-8-6-9/h10H,2-9H2,1H3
• InChIKey: ADKFRZBUXRKWDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(hexyl)amine
• IUPAC Traditional name: (2-aminoethyl)(hexyl)amine
• Synonyms: N-Hexylethylenediamine; N-己基乙二胺

Database IDs

• CAS Number: 7261-70-3
• MDL Number: MFCD00274355
• PubChem SID: 24871699; 162239135
• PubChem CID: 3345103

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6464636
• LogD (pH = 7.4): -1.6561133
• Log P: 1.2231741
• Molar Refractivity: 45.7188 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101-103 °C/20 mmHg(lit.)
• Flash Point: 190.4 °F; 88 °C
• Density: 0.832 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.448(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 2735 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)5NHCH2CH2NH2

DETAILS

Sigma Aldrich - 480606

Packaging
1, 5 g in glass bottle