CAS
93904-64-4 Purity
96%
93904-64-4 Purity
96%
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[Benzyldimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium]chloride
CAS
93904-69-9
Catalog Number
ACM93904699
Category
Other Products
Molecular Weight
563.29746
Molecular Formula
C34H59ClN2O2
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Specification
Synonyms
[benzyldimethyl[3-[3-(octadecyl)-2,5-dioxopyrrolidine-1-yl]propyl]ammonium] chloride
What is the molecular formula of the compound in the reference?
The molecular formula is C34H59ClN2O2.
What are the synonyms of the compound according to the reference?
The synonyms include EINECS 299-808-6 and 93904-69-9.
When was the compound created and last modified?
The compound was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is benzyl-dimethyl-[3-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)propyl]azanium;chloride.
What is the InChI of the compound?
The InChI is InChI=1S/C34H59N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-32-29-33(37)35(34(32)38)27-23-28-36(2,3)30-31-24-20-19-21-25-31;/h19-21,24-25,32H,4-18,22-23,26-30H2,1-3H3;1H/q+1;/p-1.
What is the canonical SMILES of the compound?
The canonical SMILES is CCCCCCCCCCCCCCCCCCC1CC(=O)N(C1=O)CCC[N+](C)(C)CC2=CC=CC=C2.[Cl-].
What is the molecular weight of the compound?
The molecular weight is 563.3 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has zero hydrogen bond donor counts.
What is the rotatable bond count of the compound?
The compound has 23 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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