Structure

[Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride

CAS
94231-27-3
Catalog Number
ACM94231273
Category
Other Products
Molecular Weight
385.498640 [g/mol]
Molecular Formula
C20H46N2.2Cl

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Specification

Synonyms
EINECS 303-843-5, (Dodecane-1,12-diylbis(ethyldimethylammonium)) dichloride, 94231-27-3
IUPAC Name
ethyl-[12-[ethyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium dichloride
SMILES
CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC.[Cl-].[Cl-]
InChI Key
JXZBZYXYIVZUID-UHFFFAOYSA-L
EC Number
303-843-5
Exact Mass
384.30400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride?

The molecular formula is C20H46Cl2N2.

When was [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride created according to PubChem?

It was created on 2009-08-20.

What is the IUPAC name of [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride?

The IUPAC name is ethyl-[12-[ethyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium;dichloride.

What is the Canonical SMILES notation for [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride?

The Canonical SMILES notation is CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC.[Cl-].[Cl-].

What is the molecular weight of [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride?

The molecular weight is 385.5 g/mol.

What is the InChIKey for [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride?

The InChIKey is JXZBZYXYIVZUID-UHFFFAOYSA-L.

How many hydrogen bond acceptor counts are there in [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride?

There are 2 hydrogen bond acceptor counts.

What is the topological polar surface area of [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride?

The topological polar surface area is 0?2.

How many rotatable bond counts are there in [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride?

There are 15 rotatable bond counts.

Is [Dodecane-1,12-diylbis(ethyldimethylammonium)]dichloride considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound according to PubChem.

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