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Melitracen-d6 Hydrochloride

CAT: 0572-TRC-M215502-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M215502-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189648-08-5
Synonyms
3-(10,10-Dimethyl-d6)-9(10H)-anthracenylidene)-N,N-dimethyl-1-propanamine Hydrochloride; 9-(3-Dimethylaminopropylidene)-10,10-(dimethyl-d6) -9,10-dihydroanthracene Hydrochloride; Adaptol-d6; Melixeran-d6; Melitracene-d6; Thymeol-d6; Trausabun-d6; U-24973A-d6;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN(C)CC/C=C1C2=C(C=CC=C2)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C3=CC=CC=C3\1.Cl
Molecular Formula
C21H20D6ClN
Molecular Weight
333.93
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Melitracen-d6 Hydrochloride
CAS Number1189648-08-5
PubChem CID46782116
IUPAC Name3-[10,10-bis(trideuteriomethyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine;hydrochloride
Molecular FormulaC21H26ClN
Molecular Weight333.9
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity378
SMILES
[2H]C([2H])([2H])C1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C21H25N.ClH/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21;/h5-8,10-14H,9,15H2,1-4H3;1H/i1D3,2D3;
InChIKey
RADLXCPDUXFGFF-TXHXQZCNSA-N
Chemical Structure
2D Structure
2D structure of Melitracen-d6 Hydrochloride
CAS: 1189648-08-5
CID: 46782116
Formula: C21H26ClN
MW: 333.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass333.2130380
Monoisotopic Mass333.2130380
Topological Polar Surface Area3.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity378
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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