Home > Products > Screening Compounds P91835 > Methacyne

Methacyne

Catalog Number: EVT-1535925

CAS Number: 95548-36-0

Molecular Formula: C29H42IN2O4-

Molecular Weight: 609.6 g/mol

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Product Introduction

Properties

CAS Number

95548-36-0

Product Name

Methacyne

IUPAC Name

2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-[2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]azanium;iodide

Molecular Formula

C29H42IN2O4-

Molecular Weight

609.6 g/mol

InChI

InChI=1S/C29H42N2O4.HI/c1-27(2)21-23(22-28(3,4)30(27)34)17-18-31(5,6)19-20-35-26(32)29(33,24-13-9-7-10-14-24)25-15-11-8-12-16-25;/h7-16,23,33H,17-22H2,1-6H3;1H/p-1

InChI Key

HTGOVEPBTLRBKO-UHFFFAOYSA-M

SMILES

CC1(CC(CC(N1[O-])(C)C)CC[N+](C)(C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[I-]

Synonyms

methacyne

Canonical SMILES

CC1(CC(CC(N1[O-])(C)C)CC[N+](C)(C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[I-]

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