CAS
94266-07-6 Purity
96%
94266-07-6 Purity
96%
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N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide
CAS
94266-17-8
Catalog Number
ACM94266178
Category
Other Products
Molecular Weight
262.39
Molecular Formula
C16H26N2O
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Specification
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
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
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 Ų.
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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