(1R)-3-(1-Adamantyl)-1-(Aminomethyl)Isochroman-5,6-Diol Hydrochloride
[CAS# 145307-34-2]

Identification

• Name: (1R)-3-(1-Adamantyl)-1-(Aminomethyl)Isochroman-5,6-Diol Hydrochloride
• Synonyms: 1H-2-Benzopyran-5,6-Diol, 1-(Aminomethyl)-3,4-Dihydro-3-Tricyclo(3.3.1.1(3,7))Dec-1-Yl-, Hydrochloride, (1R-Cis)-; 3-(1'-Adamantyl)-1-Aminomethyl-3,4-Dihydro-5,6-Dihydroxy-1H-2-Benzopyran Hydrochloride; A 77636
• Molecular Formula: C₂₀H₂₈ClNO₃
• Molecular Weight: 365.90
• CAS Registry Number: 145307-34-2
• SMILES: [C@H]4(OC(C12CC3CC(C1)CC(C2)C3)CC5=C4C=CC(=C5O)O)CN.[H+].[Cl-]
• InChI: 1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18?,20?;/m0./s1
• InChIKey: BWHPNJVKFAPVOG-LXJUREGMSA-N

Properties

• Boiling point: 515.3°C at 760 mmHg (Cal.)
• Flash point: 265.5°C (Cal.)