N-Methyl-alpha-tocopheramine nitroxide

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Basic information

CAS: 78249-60-2
Standard SMILES: Cc1c(C)c(N(C)O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChIKey: ZEGFWFYAMGCOGK-IQLGONJTSA-N
Molecular formula: C30H53NO2
Average molar mass: 459.7 g/mol
Monoisotopic mass: 459.40762993

Overview

structure

Names & identifiers

Preferred name: N-Methyl-alpha-tocopheramine nitroxide
IUPAC: N-methyl-N-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]hydroxylamine

Names & synonyms

N-Methyl-alpha-tocopheramine nitroxide78249-60-2Nitroxide, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl methylRefChem:163718

Database identifiers

CAS: 78249-60-2
PubChem CID: 129010914

Properties

Computed structural properties

XLogP: 10.7
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 13
Heavy atoms: 33
Formal charge: 0
Complexity: 551

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Compound notes

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