pyridine-2,3-diamine

• ChemBase ID: 49256
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(ncccc1N)N
• Canonical SMILES: Nc1ncccc1N
• InChI: InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
• InChIKey: ZZYXNRREDYWPLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,3-diamine
• IUPAC Traditional name: pyridine-2,3-diamine
• Synonyms: 2,3-Pyridinediamine; 2,3-Diaminopyridine; 2,3-DIAMINOPYRIDINE; 2,3-Pyridinediamine; 2,3-Diaminopyridine; Pyridine-2,3-diamine; 2,3-二氨基吡啶

Database IDs

• CAS Number: 452-58-4
• EC Number: 207-200-9
• MDL Number: MFCD00006319
• Beilstein Number: 109869
• PubChem SID: 162054019; 24847682
• PubChem CID: 9956

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.661871
• LogD (pH = 7.4): -0.5967829
• Log P: -0.30782098
• Molar Refractivity: 33.6154 cm^3
• Polarizability: 11.709628 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-114°C; 110-115 °C(lit.); 110-115°C; 155 - 157°C
• Boiling Point: 195°C/55mm; 195°C/55mm
• Flash Point: 205°C(401°F)
• Hydrophobicity(logP): -2.186

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive; IRRITANT; Toxic/Irritant/Air Sensitive/Store under Argon
• RTECS: US7548000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN2671
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 20/21-25-36/37/38; 22-36/37/38
• Safety Statements: 26-36/37; 26-36/37-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H300-H311-H331-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C5H7N3

DETAILS

Sigma Aldrich - 125857

Application
Reagent used for synthesizing imidazopyridines1 and as a ligand in organometallic complexes.2
Packaging
1, 5, 25 g in glass bottle