trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole

Name: trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
SKU: ACM98519336
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CAS

98519-33-6

Catalog Number

ACM98519336

Category

Other Products

Molecular Weight

341.404220 [g/mol]

Molecular Formula

C19H23N3O3

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Specification

Synonyms

CID3062608, LS-155810, LS-155811, 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, cis-, cis-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole, cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5-methyl-5-propyl-1,3-dioxan, trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole, trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5-methyl-5-propyl-1,3-dioxan, 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, trans-, 98519-33-6, 98532-79-7

IUPAC Name

1-[[2-(1-benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole

InChI Key

ITACZRXGTMPYNT-UHFFFAOYSA-N

Boiling Point

496.1ºC at 760mmHg

Flash Point

253.8ºC

Density

1.25g/cm³

Exact Mass

341.17400

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C19H23N3O3.

When was the compound created?

The compound was created on August 9, 2005.

What are synonyms for the compound?

Some synonyms for the compound include 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, trans- and trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole.

What is the molecular weight of the compound?

The molecular weight of the compound is 341.4 g/mol.

What is the InChIKey of the compound?

The InChIKey of the compound is ITACZRXGTMPYNT-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.4.

How many rotatable bond counts does the compound have?

The compound has 5 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.