pyridin-3-ylmethanamine

• ChemBase ID: 21484
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: n1cc(CN)ccc1
• Canonical SMILES: NCc1cccnc1
• InChI: InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
• InChIKey: HDOUGSFASVGDCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-3-ylmethanamine; (pyridin-3-yl)methanamine
• IUPAC Traditional name: 3-pyridinemethaneamine
• Synonyms: 3-Pyridinylmethyl)amine; 1-(Pyridin-3-yl)methanamine; 3-Picolylamine; NSC 59706; Picolamine.; 3-(Aminomethyl)pyridine; 3-Picolylamine; (Pyridin-3-yl)methylamine; 3-(Aminomethyl)pyridine; 3-Pyridinylmethanamine; 3-Pyridinemethylamine; 3-(Aminomethyl)pyridine; 3-氨甲基吡啶; 3-吡啶甲基胺; 3-(氨基甲基)吡啶

Database IDs

• CAS Number: 3731-52-0
• EC Number: 223-091-0
• MDL Number: MFCD00006412
• Beilstein Number: 108056
• PubChem SID: 24891102; 24887358; 160984791
• PubChem CID: 31018

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.061465
• LogD (pH = 7.4): -1.8631268
• Log P: -0.11865818
• Molar Refractivity: 32.3745 cm^3
• Polarizability: 12.804069 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Methanol
• Apperance: Colourless to Pale Yellow Oil
• Melting Point: -21 °C(lit.); -21°C
• Boiling Point: 226°C; 73-74 °C/1 mmHg(lit.); 73-74°C/1mm
• Flash Point: 100°C(212°F); 108 °C; 226.4 °F
• Density: 1.062; 1.062 g/mL at 25 °C(lit.)
• Refractive Index: 1.5510; n20/D 1.551; n20/D 1.551(lit.)

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-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: ≥97.0% (GC); ≥99%; 98%; 99+%
• Grade: purum
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

MP Biomedicals - 05208063

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A65409

Packaging
5, 100, 500 g in glass bottle