CAS
94139-04-5 Purity
96%
94139-04-5 Purity
96%
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N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate
CAS
94139-08-9
Catalog Number
ACM94139089
Category
Other Products
Molecular Weight
328.490040 [g/mol]
Molecular Formula
C16H34N2O2.C2H4O2
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Specification
Synonyms
EINECS 303-023-7, N-(2-((2-Hydroxyethyl)amino)ethyl)dodecanamide monoacetate, 94139-08-9
IUPAC Name
[dodecanoyl-[2-(ethylamino)ethyl]amino] acetate
SMILES
CCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O
InChI Key
NIUGYHQDYQOXGV-UHFFFAOYSA-N
EC Number
303-023-7
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate?
The molecular formula is C18H36N2O3.
What is the molecular weight of N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate?
The molecular weight is 328.5 g/mol.
What is the IUPAC name of N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate?
The IUPAC name is [dodecanoyl-[2-(ethylamino)ethyl]amino] acetate.
What is the InChI of N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate?
The InChI is InChI=1S/C18H36N2O3/c1-4-6-7-8-9-10-11-12-13-14-18(22)20(23-17(3)21)16-15-19-5-2/h19H,4-16H2,1-3H3.
What is the Canonical SMILES of N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate?
The Canonical SMILES is CCCCCCCCCCCC(=O)N(CCNCC)OC(=O)C.
How many hydrogen bond donor counts does N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate have?
It has 4 hydrogen bond acceptor counts.
What is the rotatable bond count of N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate?
The rotatable bond count is 16.
What is the topological polar surface area of N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate?
The topological polar surface area is 58.6 Ų.
Is N-[2-[(2-Hydroxyethyl)amino]ethyl]dodecanamide monoacetate considered to be a canonicalized compound?
Yes, the compound is canonicalized.
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