CAS
94139-09-0 Purity
96%
94139-09-0 Purity
96%
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N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate
CAS
94139-12-5
Catalog Number
ACM94139125
Category
Other Products
Molecular Weight
406.601880 [g/mol]
Molecular Formula
C22H40N2O2.C2H4O2
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Specification
Synonyms
EINECS 303-027-9, N-(2-((2-Hydroxyethyl)amino)ethyl)octadeca-9,12,15-trienamide monoacetate, 94139-12-5
IUPAC Name
[2-(ethylamino)ethyl-[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino] acetate
Canonical SMILES
CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCO.CC(=O)O
InChI Key
CAWUNVXZNYDOCP-YHTMAJSVSA-N
EC Number
303-027-9
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate?
The molecular formula is C24H42N2O3.
When was the structure of N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate created and last modified?
The structure was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate?
The IUPAC name is [2-(ethylamino)ethyl-[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino] acetate.
What is the InChI key of N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate?
The InChI key is CAWUNVXZNYDOCP-YHTMAJSVSA-N.
How many hydrogen bond donor counts does N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate?
The XLogP3-AA value is 5.8.
What is the topological polar surface area of N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate?
The topological polar surface area is 58.6 Ų.
How many defined bond stereocenter counts does N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate have?
It has 3 defined bond stereocenter counts.
What is the complexity value of N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate?
The complexity value is 498.
Is N-[2-[(2-Hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate a canonicalized compound?
Yes, it is a canonicalized compound.
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94139-10-3 Purity
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94139-11-4 Purity
96%
94139-11-4 Purity
96%
