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Bindschedler'S Green Leuco Base

CAT: 0127-OR1026533-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1026533-01Size:100 mg
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CAS Number
637-31-0
Synonyms
1-N-[4- (dimethylamino) phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
Purity
98%
Smiles
CN(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)N(C)C

Chemical Information

4,4'-Bis(dimethylamino)diphenylamine

used in a BG reduction cytotoxicity assay

CAS Number637-31-0
PubChem CID69473
IUPAC Name1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
Molecular FormulaC16H21N3
Molecular Weight255.36
XLogP3.7
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity223
SMILES
CN(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H21N3/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4/h5-12,17H,1-4H3
InChIKey
ZPGZNKGKCSYBGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Bis(dimethylamino)diphenylamine
CAS: 637-31-0
CID: 69473
Formula: C16H21N3
MW: 255.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.36
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass255.173547683
Monoisotopic Mass255.173547683
Topological Polar Surface Area18.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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