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

• ChemBase ID: 48402
• Molecular Formular: C8H10ClN3O
• Molecular Mass: 199.6375
• Monoisotopic Mass: 199.05123964
• SMILES: n1c(N2CCOCC2)cncc1Cl
• Canonical SMILES: Clc1cncc(n1)N1CCOCC1
• InChI: InChI=1S/C8H10ClN3O/c9-7-5-10-6-8(11-7)12-1-3-13-4-2-12/h5-6H,1-4H2
• InChIKey: AVZHUCQUCHGNJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-chloropyrazin-2-yl)morpholine
• IUPAC Traditional name: 4-(6-chloropyrazin-2-yl)morpholine
• Synonyms: 4-(6-Chloro-2-pyrazinyl)morpholine; 4-(6-Chloropyrazin-2-yl)morpholine

Database IDs

• CAS Number: 720693-19-6
• MDL Number: MFCD09800998
• PubChem SID: 162053165
• PubChem CID: 26370209

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.84612155
• LogD (pH = 7.4): 0.8461237
• Log P: 0.84612375
• Molar Refractivity: 51.4269 cm^3
• Polarizability: 19.023127 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 0.631

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%