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

• ChemBase ID: 13531
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1ccc(C(N)C)cc1
• Canonical SMILES: CC(c1ccncc1)N
• InChI: InChI=1S/C7H10N2/c1-6(8)7-2-4-9-5-3-7/h2-6H,8H2,1H3
• InChIKey: HIZMJYQEHFJWQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-4-yl)ethan-1-amine
• IUPAC Traditional name: 1-(pyridin-4-yl)ethanamine
• Synonyms: (1-pyridin-4-ylethyl)amine; alpha-Methyl-4-pyridinemethylamine; 1-(4-Pyridyl)ethylamine; 1-pyridin-4-ylethanamine; 1-(Pyridin-4-yl)ethylamine; 4-(1-Aminoethyl)pyridine; 1-Pyridin-4-yl-ethylamine; 1-(4-Pyridyl)ethylamine; 1-Pyridin-4-yl-ethylamine; 4-(1-Aminoethyl)pyridine; 1-(4-吡啶基)-乙基胺; 1-(4-吡啶基)乙胺; 4-(1-氨乙基)吡啶; 1-吡啶-乙基胺

Database IDs

• CAS Number: 50392-78-4; 174132-32-2
• MDL Number: MFCD02245004
• PubChem SID: 160976838
• PubChem CID: 247998

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6926537
• LogD (pH = 7.4): -1.7596408
• Log P: 0.29791686
• Molar Refractivity: 36.7933 cm^3
• Polarizability: 14.649602 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 210°C
• Flash Point: 104 °C; 104.4°C; 219.2 °F
• Density: 1.019; 1.0190 g/mL at 25 °C
• Refractive Index: n20/D 1.5347
• Hydrophobicity(logP): -0.094

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Toxic/Corrosive/Store under Argon
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2810; UN2735
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 3; III
• Risk Statements: 25-37/38-41; 34
• Safety Statements: 20-23-26-36/37/39-45; 26-39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 95%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C7H10N2

DETAILS

Sigma Aldrich - 685747

Packaging
1 g in glass bottle
250 mg in glass bottle