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Leucomalachite Green-d6

CAT: 0572-TRC-L330333-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L330333-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173021-13-0
Synonyms
4-[Deuterio-(4-dimethylaminophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methyl]-N,N-dimethylaniline; Leucomalachite green D6; Leucomalachite green D6 (phenylmethin D6)
Hazard Statement
Suspected of causing genetic defects
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C
Molecular Formula
C23 2H6 H20 N2
Molecular Weight
336.5
InChI
InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3/i5D,6D,7D,8D,9D,23D
Additionnal Information
IUPAC name: 4-[deuterio-[4-(dimethylamino)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)methyl]-N,N-dimethylaniline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Leucomalachite Green-d6
CAS Number1173021-13-0
PubChem CID16212168
IUPAC Name4-[deuterio-[4-(dimethylamino)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)methyl]-N,N-dimethylaniline
Molecular FormulaC23H26N2
Molecular Weight336.5
XLogP5.3
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity342
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)[2H])[2H]
InChI
InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3/i5D,6D,7D,8D,9D,23D
InChIKey
WZKXBGJNNCGHIC-OOBYGUTHSA-N
Chemical Structure
2D Structure
2D structure of Leucomalachite Green-d6
CAS: 1173021-13-0
CID: 16212168
Formula: C23H26N2
MW: 336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.5
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass336.247259314
Monoisotopic Mass336.247259314
Topological Polar Surface Area6.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity342
Isotope Atom Count6
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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