Ecgonin Hydrochloride
[CAS# 5796-31-6]

Identification

• Classification: Analytical chemistry >> Standard >> Standard material
• Name: Ecgonin Hydrochloride
• Synonyms: 1-Alpha-H,5-Alpha-H-Tropane-2-Beta-Carboxylic Acid, 3-Beta-Hydroxy-, Hydrochloride; 3-Hydroxy-8-Methyl-8-Azabicyclo(3.2.1)Octane-2-Carboxylic Acid Hydrochloride (1R-(Exo,Exo))-; 3-Beta-Hydroxy-1-Alpha-H,5-Alpha-H-Tropane-2-Beta-Carboxylic Acid Hydrochloride
• Molecular Formula: C₉H₁₆ClNO₃
• Molecular Weight: 221.68
• CAS Registry Number: 5796-31-6
• SMILES: [C@@H]12N([C@H](CC1)C[C@H](O)[C@@H]2C(O)=O)C.[H+].[Cl-]
• InChI: 1S/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5-,6-,7+,8-;/m1./s1
• InChIKey: HVWQTEPEBQYIFB-HZIXLPQISA-N

Properties

• Boiling point: 376.3°C at 760 mmHg (Cal.)
• Flash point: 181.4°C (Cal.)