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HC Blue No. 8

CAT: 0572-TRC-H922350-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H922350-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166377-62-4
Synonyms
HC Blue No. 8
Hazard Statement
No Data Available
Smiles
Cl.CNc1ccc(NCCCN)c2C(=O)c3ccccc3C(=O)c12
Molecular Formula
C18 H19 N3 O2 . Cl H
Molecular Weight
345.823
InChI
InChI=1S/C18H19N3O2.ClH/c1-20-13-7-8-14(21-10-4-9-19)16-15(13)17(22)11-5-2-3-6-12(11)18(16)23;/h2-3,5-8,20-21H,4,9-10,19H2,1H3;1H
Additionnal Information
IUPAC name: 1-(3-aminopropylamino)-4-(methylamino)anthracene-9,10-dione;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

HC Blue no. 8
CAS Number166377-62-4
PubChem CID19704561
IUPAC Name1-(3-aminopropylamino)-4-(methylamino)anthracene-9,10-dione;hydrochloride
Molecular FormulaC18H20ClN3O2
Molecular Weight345.8
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity454
SMILES
CNC1=C2C(=C(C=C1)NCCCN)C(=O)C3=CC=CC=C3C2=O.Cl
InChI
InChI=1S/C18H19N3O2.ClH/c1-20-13-7-8-14(21-10-4-9-19)16-15(13)17(22)11-5-2-3-6-12(11)18(16)23;/h2-3,5-8,20-21H,4,9-10,19H2,1H3;1H
InChIKey
BQYHUHIVBWYROK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HC Blue no. 8
CAS: 166377-62-4
CID: 19704561
Formula: C18H20ClN3O2
MW: 345.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass345.1244046
Monoisotopic Mass345.1244046
Topological Polar Surface Area84.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity454
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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