NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-[(2-chloroethyl)(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
|
|
|
IUPAC Traditional name
|
|
Synonyms
|
N-2-chloroethyl-N-methyl 2-aminoethyl benzilate
|
α-Hydroxy-α-phenylbenzeneacetic acid 2-[(2-chloroethyl)methylamino]ethyl ester
|
Benzilylcholine mustard
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
Chemspider ID
|
|
Wikipedia Title
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
|
Data ID
|
Price
|
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
11.05041
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.7068064
|
LogD (pH = 7.4)
|
3.1828
|
Log P
|
3.3865755
|
Molar Refractivity
|
95.6136 cm3
|
Polarizability
|
37.52519 Å3
|
Polar Surface Area
|
49.77 Å2
|
Rotatable Bonds
|
9
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent