2-(pyridin-4-yl)ethan-1-amine

• ChemBase ID: 11276
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1ccc(CCN)cc1
• Canonical SMILES: NCCc1ccncc1
• InChI: InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2
• InChIKey: IDLHTECVNDEOIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yl)ethan-1-amine
• IUPAC Traditional name: 4-pyridine ethaneamine
• Synonyms: (2-pyridin-4-ylethyl)amine; 4-Pyridineethanamine; 2-(pyridin-4-yl)ethan-1-amine; 2-Pyridin-4-yl-ethylamine; 2-(Pyridin-4-yl)ethylamine; 4-(2-Aminoethyl)pyridine; 2-(pyridin-4-yl)ethanamine; 4-(2-Aminoethyl)pyridine; 4-Pyridineethylamine; 2-(4-Pyridyl)ethylamine; 4-(2-氨基乙基)吡啶; 4-(2-氨乙基)吡啶

Database IDs

• CAS Number: 13258-63-4
• MDL Number: MFCD00038045
• PubChem SID: 160974583; 24883600
• PubChem CID: 83275

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1017582
• LogD (pH = 7.4): -2.0964503
• Log P: 0.17000303
• Molar Refractivity: 37.1295 cm^3
• Polarizability: 14.572318 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 104 °C/9 mmHg(lit.); 70-71°C/1mm; 70-71°C/1mm
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.021; 1.0238 g/mL at 25 °C(lit.)
• Refractive Index: 1.5395; n20/D 1.5380(lit.)
• Partition Coefficient: 0.018
• Hydrophobicity(logP): -0.064

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 96%; 97%; min 97%
• Empirical Formula (Hill Notation): C7H10N2

DETAILS

Sigma Aldrich - 648701

Packaging
1 g in glass bottle