ethyl(pyridin-4-ylmethyl)amine

• ChemBase ID: 145756
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: CCNCc1ccncc1
• Canonical SMILES: CCNCc1ccncc1
• InChI: InChI=1S/C8H12N2/c1-2-9-7-8-3-5-10-6-4-8/h3-6,9H,2,7H2,1H3
• InChIKey: ZBAMQLFFVBPAOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(pyridin-4-ylmethyl)amine; ethyl[(pyridin-4-yl)methyl]amine
• IUPAC Traditional name: ethyl(pyridin-4-ylmethyl)amine
• Synonyms: 4-(Ethylaminomethyl)pyridine; N-(4-Pyridylmethyl)ethylamine; 4-(Ethylaminomethyl)pyridine; 4-(Ethylaminomethyl)pyridine; N-(4-吡啶甲基)乙胺; 4-(乙氨甲基)吡啶

Database IDs

• CAS Number: 33403-97-3
• EC Number: 251-506-5
• MDL Number: MFCD00023632
• Beilstein Number: 471685
• PubChem SID: 24862393; 162239958
• PubChem CID: 96681

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.488142
• LogD (pH = 7.4): -1.3216081
• Log P: 0.6707302
• Molar Refractivity: 41.8977 cm^3
• Polarizability: 16.496437 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-105°C/8mm
• Flash Point: 208.4 °F; 89°C(192°F); 98 °C
• Density: 0.979 g/mL at 25 °C(lit.); 0.98
• Refractive Index: 1.5175; n20/D 1.516(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-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: 96%; 97%
• Empirical Formula (Hill Notation): C8H12N2

DETAILS

Sigma Aldrich - 367095

Packaging
10, 50 g in glass bottle