N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide

CAS
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CAS
94266-17-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94266178

Product Name

N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide

Structure

Structure

CAS

94266-17-8

Category

Heterocyclic Organic Compound

Synonyms

EINECS 304-422-9, CID216413, N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide, 94266-17-8

IUPAC Name

N-(2-aminoethyl)-2-(4-tert-butyl-2,6-dimethylphenyl)acetamide

Molecular Weight

262.39

Molecular Formula

C₁₆H₂₆N₂O

Canonical SMILES

CC1=CC(=CC(=C1CC(=O)NCCN)C)C(C)(C)C

InChI Key

ZETWQXPEVKRTDM-UHFFFAOYSA-N

Boiling Point

440.5ºC at 760 mmHg

Flash Point

220.2ºC

Density

0.993g/cm³

EC Number

304-422-9

Exact Mass

262.20500

H-Bond Acceptor

2

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide?

The molecular formula is C16H26N2O.

When was N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide created and modified in PubChem?

It was created on 2005-08-09 and modified on 2023-12-30.

What is the IUPAC name of N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide?

The IUPAC name is N-(2-aminoethyl)-2-(4-tert-butyl-2,6-dimethylphenyl)acetamide.

What is the InChIKey for N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide?

The InChIKey is ZETWQXPEVKRTDM-UHFFFAOYSA-N.

How many hydrogen bond donor counts does N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide?

The topological polar surface area is 55.1 Å².

How many defined atom stereocenter counts does N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide have?

It has 0 defined atom stereocenter counts.

What is the XLogP3-AA value for N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide?

The XLogP3-AA value is 2.6.

How many rotatable bond counts does N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide have?

It has 5 rotatable bond counts.

Is N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide considered a canonicalized compound?

Yes, it is considered a canonicalized compound.

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