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Structure

4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride

CAS
94160-22-2
Catalog Number
ACM94160222
Category
Other Products
Molecular Weight
461.164220 [g/mol]
Molecular Formula
C26H53ClN2O2

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Specification

Synonyms
EINECS 303-304-4, 4-Methyl-4-(3-((1-oxooctadecyl)amino)propyl)morpholinium chloride, 94160-22-2
IUPAC Name
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]octadecanamide chloride
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+]1(CCOCC1)C.[Cl-]
InChI Key
RLADJYGFPZJJEG-UHFFFAOYSA-N
EC Number
303-304-4
Exact Mass
460.38000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride?

The molecular formula of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride is C26H53ClN2O2.

When was 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride created?

4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride was created on 2005-08-08.

What is the molecular weight of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride?

The molecular weight of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride is 461.2 g/mol.

What is the IUPAC name of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride?

The IUPAC name of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride is N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]octadecanamide; chloride.

What is the Canonical SMILES notation of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride?

The Canonical SMILES notation of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride is CCCCCCCCCCCCCCCCCC(=O)NCCC[N+]1(CCOCC1)C.[Cl-].

What is the InChIKey of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride?

The InChIKey of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride is RLADJYGFPZJJEG-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride have?

4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride?

The topological polar surface area of 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride is 38.3 Å2.

How many rotatable bond counts does 4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride have?

4-Methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride has 20 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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