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3,4-Dihydroxybenzylamine hydrobromide

CAT: 0957-E8117-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E8117-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16290-26-9
Synonyms
NSC 263475 hydrobromide
Additionnal Information
3,4-Dihydroxybenzylamine hydrobromide (NSC 263475 hydrobromide) is an improved dopamine analog cytotoxic and inhibits DNA polymerase activity in melanoma cells. 3,4-Dihydroxybenzylamine hydrobromide (NSC 263475 hydrobromide) displays growth inhibitory activity in melanoma cell lines with varying degrees of tyrosinase activity.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide (1:1)
CAS Number16290-26-9
PubChem CID13343562
IUPAC Name4-(aminomethyl)benzene-1,2-diol;hydrobromide
Molecular FormulaC7H10BrNO2
Molecular Weight220.06
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity108
SMILES
C1=CC(=C(C=C1CN)O)O.Br
InChI
InChI=1S/C7H9NO2.BrH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H
InChIKey
BVFZTXFCZAXSHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide (1:1)
CAS: 16290-26-9
CID: 13343562
Formula: C7H10BrNO2
MW: 220.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight220.06
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass218.98949
Monoisotopic Mass218.98949
Topological Polar Surface Area66.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity108
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