Ecgonine methyl ester, (N-methyl-d3)-

Base Information

• Chemical Name: Ecgonine methyl ester, (N-methyl-d3)-
• CAS No.: 136765-34-9
• Molecular Formula: C10H14D3NO3
• Molecular Weight: 202.27
• UNII: B6Z8WPQ4UX
• DSSTox Substance ID: DTXSID10894098
• Nikkaji Number: J1.210.607F
• Wikidata: Q83128992
• Mol file: 136765-34-9.mol

Synonyms:136765-34-9;Ecgonine methyl ester, (N-methyl-d3)-;B6Z8WPQ4UX;UNII-B6Z8WPQ4UX;8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-(methyl-d3)-, methyl ester, (1R-(exo,exo))-;methyl (1R,2R,3S,5S)-3-hydroxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;DTXSID10894098;(N-methyl-D3)-Ecgonine methyl ester;Ecgonine-D3 Methyl Ester 0.1 mg/ml in Acetonitrile;8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-(methyl-d3)-,methyl ester, (1R,2R,3S,5S)-;Ecgonine-D3 Methyl Ester;(1R,2R,3S,5S)-3-Hydroxy-8-(methyl-d3)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester;[1R-(exo,exo)]-3-Hydroxy-8-(methyl-d3)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

Chemical Property of Ecgonine methyl ester, (N-methyl-d3)-

Chemical Property:

• Flash Point: 2℃
• PSA: 49.77000
• LogP: -0.05910
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.13967364
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Ecgonine methyl ester-D3 solution ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1C(C(C2)O)C(=O)OC
• Isomeric SMILES: [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC

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