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Norepinephrine Sulfonic Acid

CAT: 0572-TRC-N674530-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N674530-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24159-36-2
Synonyms
α-(Aminomethyl)-3,4-dihydroxy-benzenemethanesulfonic Acid
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
NCC(c1ccc(O)c(O)c1)S(=O)(=O)O
Molecular Formula
C8 H11 N O5 S
Molecular Weight
233.24
InChI
InChI=1S/C8H11NO5S/c9-4-8(15(12,13)14)5-1-2-6(10)7(11)3-5/h1-3,8,10-11H,4,9H2,(H,12,13,14)
Additionnal Information
IUPAC name: 2-amino-1-(3,4-dihydroxyphenyl)ethanesulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Amino-1-(3,4-dihydroxyphenyl)ethane-1-sulfonic acid
CAS Number24159-36-2
PubChem CID44458237
IUPAC Name2-amino-1-(3,4-dihydroxyphenyl)ethanesulfonic acid
Molecular FormulaC8H11NO5S
Molecular Weight233.24
XLogP-4
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity299
SMILES
C1=CC(=C(C=C1C(CN)S(=O)(=O)O)O)O
InChI
InChI=1S/C8H11NO5S/c9-4-8(15(12,13)14)5-1-2-6(10)7(11)3-5/h1-3,8,10-11H,4,9H2,(H,12,13,14)
InChIKey
WJIJWGIAHLTTFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-1-(3,4-dihydroxyphenyl)ethane-1-sulfonic acid
CAS: 24159-36-2
CID: 44458237
Formula: C8H11NO5S
MW: 233.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.24
XLogP3-4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass233.03579362
Monoisotopic Mass233.03579362
Topological Polar Surface Area129 Ų
Heavy Atom Count15
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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