2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine

• ChemBase ID: 15288
• Molecular Formular: C5H4F9N
• Molecular Mass: 249.0775888
• Monoisotopic Mass: 249.02000311
• SMILES: C(C(C(C(CN)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H4F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1,15H2
• InChIKey: SUNUNYBGDFIAME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
• Synonyms: 1H,1H-Perfluoropentylamine; 2,2,3,3,4,4,5,5,5-Nonafluoropentylamine; (Perfluorobut-1-yl)methylamine; 1H,1H-Nonafluoropentylamine

Database IDs

• CAS Number: 355-27-1
• MDL Number: MFCD06213670
• PubChem SID: 160978595
• PubChem CID: 2769669

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.572075
• LogD (pH = 7.4): 2.1390522
• Log P: 2.4315655
• Molar Refractivity: 29.3729 cm^3
• Polarizability: 11.353133 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 87°C
• Density: 1.55; 1.57

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%