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Octopamine-d3

CAT: 1596-AR-O01043-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O01043-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111988-19-3
Synonyms
4- (2-amino-1-hydroxyethyl) phenol-D3; ?- (Aminomethyl) -4-hydroxybenzenemethanol-d3; (+/-) -Octopamine-d3; (+/-) -p-Octopamaine-d3; DL-Octopamine-d3; Epirenor-d3; NSC 108685-d3; Norfen-d3; Octopamine-d3; dl-Octopamine-d3
Molecular Formula
C8H8NO2D3
Molecular Weight
156.2
API Name
Octopamine

Chemical Information

Octopamine-d3
CAS Number111988-19-3
PubChem CID71751290
IUPAC Name4-(2-amino-1,2,2-trideuterio-1-hydroxyethyl)phenol
Molecular FormulaC8H11NO2
Molecular Weight156.20
XLogP-1.1
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity111
SMILES
[2H]C([2H])(C([2H])(C1=CC=C(C=C1)O)O)N
InChI
InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/i5D2,8D
InChIKey
QHGUCRYDKWKLMG-VWTWQGAWSA-N
Chemical Structure
2D Structure
2D structure of Octopamine-d3
CAS: 111988-19-3
CID: 71751290
Formula: C8H11NO2
MW: 156.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.20
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass156.097808831
Monoisotopic Mass156.097808831
Topological Polar Surface Area66.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity111
Isotope Atom Count3
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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