1-{3-[(Diethylamino)methyl]-4-methoxyphenyl}ethanone

CAS
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Purity
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CAS
93344-82-2
Size
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Purity
96%
Price
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Availability
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Quantity
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Catalog Number

ACM93344822

Product Name

1-{3-[(Diethylamino)methyl]-4-methoxyphenyl}ethanone

Structure

Structure

CAS

93344-82-2

Category

Heterocyclic Organic Compound

Synonyms

ZINC00289744, CID6943942, 93344-82-2

IUPAC Name

(5-acetyl-2-methoxyphenyl)methyl-diethylazanium

Molecular Weight

236.329980 [g/mol]

Molecular Formula

C₁₄H₂₁NO₂

Canonical SMILES

CCN(CC)CC1=C(C=CC(=C1)C(=O)C)OC

InChI Key

HWQXADPWWSVKPV-UHFFFAOYSA-O

Boiling Point

340.1ºC at 760mmHg

Flash Point

159.5ºC

Density

1.003g/cm³

Exact Mass

235.15700

H-Bond Acceptor

2

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound?

The molecular formula is C14H21NO2.

What is the molecular weight of the compound?

The molecular weight is 235.32 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethanone.

What is the InChI of the compound?

The InChI is InChI=1S/C14H21NO2/c1-5-15(6-2)10-13-9-12(11(3)16)7-8-14(13)17-4/h7-9H,5-6,10H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey is HWQXADPWWSVKPV-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCN(CC)CC1=C(C=CC(=C1)C(=O)C)OC.

What is the CAS number of the compound?

The CAS number is 93344-82-2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.1.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 6 rotatable bond counts.

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