4-[4-(tributylstannyl)phenyl]morpholine

• ChemBase ID: 89603
• Molecular Formular: C22H39NOSn
• Molecular Mass: 452.25216
• Monoisotopic Mass: 453.20535887
• SMILES: [Sn](c1ccc(cc1)N1CCOCC1)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)N1CCOCC1)(CCCC)CCCC
• InChI: InChI=1S/C10H12NO.3C4H9.Sn/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3*1-3-4-2;/h2-5H,6-9H2;3*1,3-4H2,2H3
• InChIKey: VIPDIXBRZHVCRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(tributylstannyl)phenyl]morpholine
• IUPAC Traditional name: 4-[4-(tributylstannyl)phenyl]morpholine
• Synonyms: 4-(4-Tributylstannylphenyl)morpholine; 4-(4-(Tributylstannyl)phenyl)morpholine; 1-(Morpholin-4-yl)-4-(tributylstannyl)benzene, [4-(Morpholin-4-yl)phenyl]tributylstannane; 4-[4-(Tributylstannyl)phenyl]morpholine

Database IDs

• CAS Number: 1257527-55-1
• MDL Number: MFCD17677170
• PubChem SID: 162104715
• PubChem CID: 68297642

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0526476
• LogD (pH = 7.4): 5.0526996
• Log P: 5.0527
• Molar Refractivity: 107.3931 cm^3
• Polarizability: 46.20063 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >110°C; >230 °F
• Density: 1.175; 1.175 g/L at 25 °C
• Refractive Index: 1.541; n20/D 1.541

Safety Information

• Storage Warning: Toxic/Harmful/Irritant
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Empirical Formula (Hill Notation): C22H39NOSn

DETAILS

Sigma Aldrich - 721212

Packaging
1 g in glass bottle