Home > Compound List > Compound details
338-83-0 molecular structure
click picture or here to close

tris(heptafluoropropyl)amine

ChemBase ID: 98850
Molecular Formular: C9F21N
Molecular Mass: 521.0694672
Monoisotopic Mass: 520.96954163
SMILES and InChIs

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

Cite this record

CBID:98850 http://www.chembase.cn/molecule-98850.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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%
CAS Number
338-83-0
MDL Number
MFCD00042589
PubChem SID
162085202
PubChem CID
67645

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6220P external link Add to cart Please log in.
Data Source Data ID
PubChem 67645 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.7018023  LogD (pH = 7.4) 7.7018023 
Log P 7.7018023  Molar Refractivity 52.0377 cm3
Polarizability 19.749857 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
-52°C expand Show data source
Boiling Point
130°C expand Show data source
Density
1.82 expand Show data source
Refractive Index
1.279 expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle