NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
|
|
|
IUPAC Traditional name
|
1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
|
|
|
Synonyms
|
(RS)-1-[3,5-Bis(trifluoromethyl)phenyl]propylamine 97%
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
1
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.80089724
|
LogD (pH = 7.4)
|
1.6977495
|
Log P
|
3.7938087
|
Molar Refractivity
|
55.4216 cm3
|
Polarizability
|
19.907972 Å3
|
Polar Surface Area
|
26.02 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
|
Irritant
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent