tris(heptafluoropropyl)amine

• ChemBase ID: 98850
• Molecular Formular: C9F21N
• Molecular Mass: 521.0694672
• Monoisotopic Mass: 520.96954163
• SMILES: N(C(C(F)(F)C(F)(F)F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)C(C(F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24
• InChIKey: JAJLKEVKNDUJBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(heptafluoropropyl)amine
• IUPAC Traditional name: perfluorotripropylamine
• Synonyms: N,N-Bis(heptafluoropropyl)-1,1,2,2,3,3,3-heptafluoropropan-1-amine; Tris(heptafluoropropyl)amine; Tris(perfluoropropyl)amine 90%

Database IDs

• CAS Number: 338-83-0
• MDL Number: MFCD00042589
• PubChem SID: 162085202
• PubChem CID: 67645

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.7018023
• LogD (pH = 7.4): 7.7018023
• Log P: 7.7018023
• Molar Refractivity: 52.0377 cm^3
• Polarizability: 19.749857 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -52°C
• Boiling Point: 130°C
• Density: 1.82
• Refractive Index: 1.279

Safety Information

• Storage Warning: Irritant