3-Methyl-1,2,3,4,5,6-Hexahydro-1,6-Methano-3-Benzazocinium
[CAS# 136377-41-8]

Identification

• Name: 3-Methyl-1,2,3,4,5,6-Hexahydro-1,6-Methano-3-Benzazocinium
• Synonyms: 3-Mhmb; 1,6-Methano-3-Benzazocine, 1,2,3,4,5,6-Hexahydro-3-Methyl-, (1R)-, Ethanedioate (1:1)
• Molecular Formula: C₁₅H₁₉NO₄
• Molecular Weight: 277.32
• CAS Registry Number: 136377-41-8
• SMILES: [C@H]23C1=CC=CC=C1C(C2)CCN(C3)C.O=C(O)C(=O)O
• InChI: 1S/C13H17N.C2H2O4/c1-14-7-6-10-8-11(9-14)13-5-3-2-4-12(10)13;3-1(4)2(5)6/h2-5,10-11H,6-9H2,1H3;(H,3,4)(H,5,6)/t10?,11-;/m0./s1
• InChIKey: VOIHYGPFXIEUCI-GQNCZFCYSA-N

Properties

• Boiling point: 282.7°C at 760 mmHg (Cal.)
• Flash point: 114°C (Cal.)