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Noradrenaline (Norepinephrine) Impurity 36

CAT: 1299-RM-N151836-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151836-01Size:10 mg
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CAS Number
50988-14-2
Synonyms
1,2,3,4-tetrahydroisoquinoline-4,6,7-triol
Molecular Formula
C9H11NO3
Molecular Weight
181.19
Target Alternative Name
Noradrenaline
Product Name Synonym
1,2,3,4-tetrahydroisoquinoline-4,6,7-triol

Chemical Information

4,6,7-Isoquinolinetriol, 1,2,3,4-tetrahydro-

4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline is a member of isoquinolines.

CAS Number50988-14-2
PubChem CID3016280
IUPAC Name1,2,3,4-tetrahydroisoquinoline-4,6,7-triol
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP-0.5
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity188
SMILES
C1C(C2=CC(=C(C=C2CN1)O)O)O
InChI
InChI=1S/C9H11NO3/c11-7-1-5-3-10-4-9(13)6(5)2-8(7)12/h1-2,9-13H,3-4H2
InChIKey
RNIMUEXSLJYHIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6,7-Isoquinolinetriol, 1,2,3,4-tetrahydro-
CAS: 50988-14-2
CID: 3016280
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area72.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity188
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