Ecgonine Methyl Ester Hydrochloride
[CAS# 38969-40-3]

Identification

• Classification: Analytical chemistry >> Standard >> Forensic and veterinary standards
• Name: Ecgonine Methyl Ester Hydrochloride
• Synonyms: (1R,2R,3S,5S)-3-Hydroxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester Hydrochloride; E5386_Sigma; 1-Alpha-H,5-Alpha-H-Tropane-2-Beta-Carboxylic Acid, 3-Beta-Hydroxy-, Methyl Ester, Hydrochloride
• Molecular Formula: C₁₀H₁₈ClNO₃
• Molecular Weight: 235.71
• CAS Registry Number: 38969-40-3
• SMILES: [C@@H]12N([C@@H](CC1)C[C@H](O)[C@@H]2C(OC)=O)C.[H+].[Cl-]
• InChI: 1S/C10H17NO3.ClH/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2;/h6-9,12H,3-5H2,1-2H3;1H/t6-,7+,8-,9+;/m0./s1
• InChIKey: RLLMNWXOZDXKCQ-NPPHLGRCSA-N

Properties

• Boiling point: 305.8°C at 760 mmHg (Cal.)
• Flash point: 138.7°C (Cal.)