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220405-41-4 molecular structure
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dibutyl[(dibutylamino)difluoromethyl]amine

ChemBase ID: 93344
Molecular Formular: C17H36F2N2
Molecular Mass: 306.4779464
Monoisotopic Mass: 306.2846556
SMILES and InChIs

SMILES:
N(C(F)(N(CCCC)CCCC)F)(CCCC)CCCC
Canonical SMILES:
CCCCN(C(N(CCCC)CCCC)(F)F)CCCC
InChI:
InChI=1S/C17H36F2N2/c1-5-9-13-20(14-10-6-2)17(18,19)21(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKey:
QSGNJWCYVPXGKY-UHFFFAOYSA-N

Cite this record

CBID:93344 http://www.chembase.cn/molecule-93344.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibutyl[(dibutylamino)difluoromethyl]amine
IUPAC Traditional name
dibutyl[(dibutylamino)difluoromethyl]amine
Synonyms
Bis(dibutylamino)difluoromethane
CAS Number
220405-41-4
MDL Number
MFCD09259013
PubChem SID
162080029
PubChem CID
2779117

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2779117 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.0072556  LogD (pH = 7.4) 7.0072556 
Log P 7.0072556  Molar Refractivity 86.381 cm3
Polarizability 34.465755 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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