4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine

• ChemBase ID: 142319
• Molecular Formular: C11H8F17N
• Molecular Mass: 477.1607744
• Monoisotopic Mass: 477.038529
• SMILES: C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN
• Canonical SMILES: NCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H8F17N/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3,29H2
• InChIKey: CVTWASMMVSOPEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine
• IUPAC Traditional name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine
• Synonyms: 1H,1H,2H,2H,3H,3H-Perfluoroundecylamine; 3-(Perfluorooctyl)propylamine; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecylamine; 1H,1H,2H,2H,3H,3H-全氟十一胺; 3-(全氟辛基)丙胺; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一胺

Database IDs

• CAS Number: 139175-50-1
• MDL Number: MFCD03788349
• PubChem SID: 24845759; 162236549
• PubChem CID: 10743224

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5589077
• LogD (pH = 7.4): 2.9827042
• Log P: 5.5827575
• Molar Refractivity: 57.6653 cm^3
• Polarizability: 22.181229 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 210 °C; 410 °F
• Density: 1.602 g/mL at 25 °C
• Refractive Index: n20/D 1.326

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: ≥97%
• Empirical Formula (Hill Notation): C11H8F17N

DETAILS

Sigma Aldrich - 04636

Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.