2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine

• ChemBase ID: 9757
• Molecular Formular: C8H4F15N
• Molecular Mass: 399.100108
• Monoisotopic Mass: 399.01042243
• SMILES: FC(C(C(C(C(C(C(CN)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H4F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24H2
• InChIKey: HZCZXRSVKNFILZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine
• Synonyms: 1H,1H-Pentadecafluorooctylamine; 1H,1H-Pentadecafluorooctylamine; 1H,1H-Perfluorooctylamine; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctylamine; 8-Amino-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane; 1H,1H-Pentadecafluorooctylamine 97%; 1H,1H-全氟辛基胺

Database IDs

• CAS Number: 307-29-9
• MDL Number: MFCD00042460
• Beilstein Number: 1806966
• PubChem SID: 160973064
• PubChem CID: 136148

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6739213
• LogD (pH = 7.4): 4.2409368
• Log P: 4.5334935
• Molar Refractivity: 43.3769 cm^3
• Polarizability: 17.0851 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 149-150°C; 75°C/50mm
• Flash Point: None
• Density: 1.714
• Refractive Index: 1.305; 1.3050

Safety Information

• Storage Warning: CORROSIVE; Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%