4-(5-iodopyridin-2-yl)morpholine

• ChemBase ID: 23895
• Molecular Formular: C9H11IN2O
• Molecular Mass: 290.10091
• Monoisotopic Mass: 289.99161098
• SMILES: C1CN(CCO1)c1ccc(cn1)I
• Canonical SMILES: Ic1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H11IN2O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
• InChIKey: RBMHFKCAFPUVRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-iodopyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-iodopyridin-2-yl)morpholine
• Synonyms: 4-(5-Iodo-pyridin-2-yl)-morpholine; 4-(5-iodo-2-pyridinyl)morpholine; 4-(5-Iodo-2-pyridyl)morpholine; 4-(5-Iodo-2-pyridyl)morpholine; 4-(5-Iodo-2-pyridinyl)morpholine; 5-Iodo-2-(morpholin-4-yl)pyridine; 4-(5-Iodo-pyridin-2-yl)-morpholine; 4-(5-碘代-2-吡啶基)吗啉

Database IDs

• CAS Number: 470463-42-4
• MDL Number: MFCD04039866
• PubChem SID: 160987202
• PubChem CID: 2795362

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1107743
• LogD (pH = 7.4): 2.1677384
• Log P: 2.1685188
• Molar Refractivity: 61.0802 cm^3
• Polarizability: 23.120096 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129-135°C; 131-135°C; 134-136°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%; 97%; 98%
• Empirical Formula (Hill Notation): C9H11IN2O

DETAILS

Sigma Aldrich - ADE001299

Other Notes
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