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C 175

CAT: 0931-T26934-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26934-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6237-31-6
Target
Others
Related Pathways
Others
Bioactivity
C 175 is a bioactive agent.
Smiles
[O-][N+](c1cc2nc3ccccc3c(NCCCCN(C)C)c2cc1)=O.Cl.Cl
Molecular Formula
C19H24Cl2N4O2
Molecular Weight
411.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acridine, 9-((4-(dimethylamino)butyl)amino)-3-nitro-, dihydrochloride
CAS Number6237-31-6
PubChem CID145849
IUPAC NameN',N'-dimethyl-N-(3-nitroacridin-9-yl)butane-1,4-diamine;dihydrochloride
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.3
Topological Polar Surface Area74
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity440
SMILES
CN(C)CCCCNC1=C2C=CC(=CC2=NC3=CC=CC=C31)[N+](=O)[O-].Cl.Cl
InChI
InChI=1S/C19H22N4O2.2ClH/c1-22(2)12-6-5-11-20-19-15-7-3-4-8-17(15)21-18-13-14(23(24)25)9-10-16(18)19;;/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,20,21);2*1H
InChIKey
MDTDCJZYLQRIFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acridine, 9-((4-(dimethylamino)butyl)amino)-3-nitro-, dihydrochloride
CAS: 6237-31-6
CID: 145849
Formula: C19H24Cl2N4O2
MW: 411.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass410.1276314
Monoisotopic Mass410.1276314
Topological Polar Surface Area74 Ų
Heavy Atom Count27
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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