2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-amine

• ChemBase ID: 93062
• Molecular Formular: C9H4F17N
• Molecular Mass: 449.1076144
• Monoisotopic Mass: 449.00722887
• SMILES: FC(C(C(C(C(C(C(C(CN)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: NCC(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/C9H4F17N/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h1,27H2
• InChIKey: IHVFAVFXCUPMEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-amine
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-amine
• Synonyms: 1H,1H-Perfluorononylamine; 1H,1H-Perfluorononylamine; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononylamine; 1H,1H-全氟壬胺; 1H,1H-十七氟壬胺

Database IDs

• CAS Number: 355-47-5
• MDL Number: MFCD01319146
• PubChem SID: 24884863; 162079760
• PubChem CID: 2776259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.374564
• LogD (pH = 7.4): 4.9415793
• Log P: 5.2341366
• Molar Refractivity: 48.0449 cm^3
• Polarizability: 18.999075 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 165°C/740mm

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: 3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2

Product Information

• Purity: ≥90% (T)
• Grade: technical
• Empirical Formula (Hill Notation): C9H4F17N

DETAILS

Sigma Aldrich - 67887

Packaging
1, 5 g in glass bottle