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Noradrenaline (Norepinephrine) Impurity 141

CAT: 1299-RM-N153041-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N153041-01Size:10 mg
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CAS Number
2504336-93-8
Synonyms
(S) -4- (2- (benzylamino) -1-hydroxyethyl) benzene-1,2-diol
Molecular Formula
C15H17NO3
Molecular Weight
259.31
Target Alternative Name
Noradrenaline (Norepinephrine)

Chemical Information

Norepinephrine Impurity 128
CAS Number2504336-93-8
PubChem CID172866610
IUPAC Name4-[(1S)-2-(benzylamino)-1-hydroxyethyl]benzene-1,2-diol
Molecular FormulaC15H17NO3
Molecular Weight259.30
XLogP0.1
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity256
SMILES
C1=CC=C(C=C1)CNC[C@H](C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C15H17NO3/c17-13-7-6-12(8-14(13)18)15(19)10-16-9-11-4-2-1-3-5-11/h1-8,15-19H,9-10H2/t15-/m1/s1
InChIKey
DQXWTKGCJPAUGF-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Norepinephrine Impurity 128
CAS: 2504336-93-8
CID: 172866610
Formula: C15H17NO3
MW: 259.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight259.30
XLogP30.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass259.12084340
Monoisotopic Mass259.12084340
Topological Polar Surface Area72.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes