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Dimethacrine Hydrochloride Salt

CAT: 0572-TRC-D460270-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460270-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
100000-17-7
Synonyms
N,N,9,9-Tetramethyl-10(9H)-acridinepropanamine Hydrochloride; 10-[3-(Dimethylamino)propyl]-9,9-dimethylacridan Hydrochloride; Dimetacrine Hydrochloride; Dimetacrino Hydrochloride; Dimetacrinum Hydrochloride; Dimethacrin Hydrochloride; NSC 100297 Hydrochloride
Hazard Statement
No Data Available
Molecular Formula
C20H26N2 • x(HCl)
InChI
InChI=1S/C20H25N2.ClH/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20;/h5,7-8,10-13H,9,14-15H2,1-4H3;1H
Additionnal Information
IUPAC name: 3-(9,9-dimethylacridin-10(9H)-yl)-N,N-dimethylpropan-1-amine hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Dimethacrine Hydrochloride Salt
CAS Number100000-17-7
PubChem CID178856639
IUPAC Name3-(9,9-dimethylacridin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Molecular FormulaC20H27ClN2
Molecular Weight330.9
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity337
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN(C)C)C.Cl
InChI
InChI=1S/C20H26N2.ClH/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20;/h5-8,10-13H,9,14-15H2,1-4H3;1H
InChIKey
CGEGEAOQYCQOMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethacrine Hydrochloride Salt
CAS: 100000-17-7
CID: 178856639
Formula: C20H27ClN2
MW: 330.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass330.1862766
Monoisotopic Mass330.1862766
Topological Polar Surface Area6.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity337
Isotope Atom Count0
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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