4-(6-bromopyrazin-2-yl)morpholine

• ChemBase ID: 66827
• Molecular Formular: C8H10BrN3O
• Molecular Mass: 244.0885
• Monoisotopic Mass: 243.00072396
• SMILES: N1(CCOCC1)c1cncc(n1)Br
• Canonical SMILES: Brc1cncc(n1)N1CCOCC1
• InChI: InChI=1S/C8H10BrN3O/c9-7-5-10-6-8(11-7)12-1-3-13-4-2-12/h5-6H,1-4H2
• InChIKey: OVLIISDBFJFQQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-bromopyrazin-2-yl)morpholine
• IUPAC Traditional name: 4-(6-bromopyrazin-2-yl)morpholine
• Synonyms: 4-(6-Bromopyrazin-2-yl)morpholine

Database IDs

• CAS Number: 848841-62-3
• MDL Number: MFCD09607709
• PubChem SID: 162032563
• PubChem CID: 45787515

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9961746
• LogD (pH = 7.4): 0.99617654
• Log P: 0.99617654
• Molar Refractivity: 54.0258 cm^3
• Polarizability: 20.011822 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%