Bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate

CAS

93893-32-4

Catalog Number

ACM93893324

Category

Other Products

Molecular Weight

425.601920 [g/mol]

Molecular Formula

C₂₂H₃₉NO₃.C₂H₄O₂

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 299-619-9, Bis(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate, 93893-32-4

IUPAC Name

acetic acid; (9E,12E,15E)-N,N-bis(2-hydroxyethyl)octadeca-9,12,15-trienamide

Canonical SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)N(CCO)CCO.CC(=O)O

InChI Key

UOPIYTYOADSLCY-ICUOVBAUSA-N

EC Number

299-619-9

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

The molecular formula of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate is C24H43NO5.

What is the molar mass of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

The molar mass of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate is 425.6 g/mol.

What is the IUPAC name of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

The IUPAC name of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate is bis(2-hydroxyethyl)-[(9E,12E,15E)-octadeca-9,12,15-trienoyl]azanium;acetate.

What is the InChI key of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

The InChI key of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate is UOPIYTYOADSLCY-ICUOVBAUSA-N.

What is the canonical SMILES representation of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

The canonical SMILES representation of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate is CCC=CCC=CCC=CCCCCCCCC(=O)[NH+](CCO)CCO.CC(=O)[O-].

How many hydrogen bond donor counts are there in bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

There are 3 hydrogen bond donor counts in bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate.

How many hydrogen bond acceptor counts are there in bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

There are 5 hydrogen bond acceptor counts in bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate.

How many rotatable bond counts are there in bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

There are 17 rotatable bond counts in bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate.

What is the topological polar surface area of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate?

The topological polar surface area of bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate is 102?2.

Is bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate a canonicalized compound?

Yes, bis-(2-hydroxyethyl)(octadeca-9,12,15-trienoyl)ammonium acetate is a canonicalized compound.