2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-amine

• ChemBase ID: 15284
• Molecular Formular: C7H4F13N
• Molecular Mass: 349.0926016
• Monoisotopic Mass: 349.01361599
• SMILES: FC(C(C(C(C(C(CN)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: NCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H4F13N/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1,21H2
• InChIKey: RWJCANHSJXNRDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-amine
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-amine
• Synonyms: 1H,1H-Perfluoroheptylamine; 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptylamine; (Perfluorohex-1-yl)methylamine; 1H,1H-Tridecafluoroheptylamine

Database IDs

• CAS Number: 423-49-4
• MDL Number: MFCD01319145
• PubChem SID: 160978591
• PubChem CID: 2776139

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9732786
• LogD (pH = 7.4): 3.540294
• Log P: 3.832851
• Molar Refractivity: 38.7089 cm^3
• Polarizability: 15.1723175 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 129°C/740mm
• Density: 1.624
• Refractive Index: 1.309

Safety Information

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

Product Information

• Purity: 97%