pyrazin-2-amine

• ChemBase ID: 53671
• Molecular Formular: C4H5N3
• Molecular Mass: 95.1026
• Monoisotopic Mass: 95.04834718
• SMILES: c1(cnccn1)N
• Canonical SMILES: Nc1cnccn1
• InChI: InChI=1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)
• InChIKey: XFTQRUTUGRCSGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazin-2-amine
• IUPAC Traditional name: 2-aminopyrazine
• Synonyms: Pyrazin-2-amine; Aminopyrazine; 2-Aminopyrazine; Pyrazinamine; Aminopyrazine; AMINO PYRAZINE; Pyrazin-2-amine; 2-Aminopyrazine; 2-氨基哌嗪; 氨基吡嗪; 2-氨基吡嗪

Database IDs

• CAS Number: 1012570-55-6; 5049-61-6
• EC Number: 225-748-7
• MDL Number: MFCD00006137
• Beilstein Number: 107025
• PubChem SID: 24846315; 24889180; 24891268; 162058434
• PubChem CID: 78747

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6968056
• LogD (pH = 7.4): -0.69657046
• Log P: -0.6965675
• Molar Refractivity: 26.7581 cm^3
• Polarizability: 9.683096 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-120 °C; 118-120 °C(lit.); 118-121°C; 118-121°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); ≥99.0% (NT); 98%; 99%
• Grade: matrix substance for MALDI-MS; purum
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤20 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤20 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Analyte suitability: small carbohydrates
• Empirical Formula (Hill Notation): C4H5N3

DETAILS

MP Biomedicals - 05223321

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A76958

Application
Substrate in a four-component synthesis of imidazolidines.1
Packaging
1 g in glass bottle
10, 50 g in poly bottle