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Normetanephrine-d3 HCl

CAT: 1596-AR-N01838-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01838-01Size:10 Units
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CAS Number
1085333-97-6
Synonyms
4- (2-amino-1-hydroxyethyl) -2-methoxyphenol-D3 hydrochloride; ?- (Aminomethyl) -4-hydroxy-3-methoxy-benzenemethanol-d3 Hydrochloride; (+/-) -Normetanephrine-d3 Hydrochloride; 3-Methoxy-4, ?-dihydroxyphenylethyl-amine-d3 Hydrochloride; dl-Normetanephrine-d3 Hydrochloride; rac Normetanephrine-d3 Hydrochloride
Molecular Formula
C9H10NO3D3. HCl
Molecular Weight
186.23 36.46
API Name
Normetanephrine

Chemical Information

rac Normetanephrine-d3 Hydrochloride
CAS Number1085333-97-6
PubChem CID71751227
IUPAC Name4-(2-amino-1,2,2-trideuterio-1-hydroxyethyl)-2-methoxyphenol;hydrochloride
Molecular FormulaC9H14ClNO3
Molecular Weight222.68
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity154
SMILES
[2H]C([2H])(C([2H])(C1=CC(=C(C=C1)O)OC)O)N.Cl
InChI
InChI=1S/C9H13NO3.ClH/c1-13-9-4-6(8(12)5-10)2-3-7(9)11;/h2-4,8,11-12H,5,10H2,1H3;1H/i5D2,8D;
InChIKey
VKFPRGQZWKTEON-IJJJTAPTSA-N
Chemical Structure
2D Structure
2D structure of rac Normetanephrine-d3 Hydrochloride
CAS: 1085333-97-6
CID: 71751227
Formula: C9H14ClNO3
MW: 222.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight222.68
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass222.0850512
Monoisotopic Mass222.0850512
Topological Polar Surface Area75.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity154
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes