CAS
94160-20-0 Purity
96%
94160-20-0 Purity
96%
![[1-[(2-Hydroxypropoxy)methyl]-1,2-ethanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate](https://resource.alfa-chemistry.com/structure/94160-27-7.gif)
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1-Propanaminium,N,N-diethyl-N-methyl-3-[(1-oxooctadecyl)amino]-,chloride(1:1)
CAS
94160-23-3
Catalog Number
ACM94160233
Category
Other Products
Molecular Weight
447.1807
Molecular Formula
C26H55N2O.Cl
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Specification
Synonyms
EINECS 303-306-5, Diethylmethyl(3-((1-oxooctadecyl)amino)propyl)ammonium chloride, 94160-23-3
IUPAC Name
diethyl-methyl-[3-(octadecanoylamino)propyl]azanium chloride
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CC)CC.[Cl-]
InChI Key
AUSNCNLXNKNARV-UHFFFAOYSA-N
Boiling Point
541.6ºC at 760mmHg
Flash Point
112.7ºC
Density
g/cm³
EC Number
303-306-5
Exact Mass
446.40000
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 21149808?
The molecular formula is C26H55ClN2O.
What is the molecular weight of the compound?
The molecular weight is 447.2 g/mol.
What are some synonyms for the compound?
Some synonyms include 94160-23-3, EINECS 303-306-5, and Diethylmethyl(3-((1-oxooctadecyl)amino)propyl)ammonium chloride.
What is the IUPAC name of the compound?
The IUPAC name is diethyl-methyl-[3-(octadecanoylamino)propyl]azanium chloride.
What is the InChI of the compound?
The InChI is InChI=1S/C26H54N2O.ClH/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(29)27-24-22-25-28(4,6-2)7-3;/h5-25H2,1-4H3;1H.
How many topological polar surface area does the compound have?
The compound has a topological polar surface area of 29.1 Ų.
How many rotatable bond counts does the compound have?
The compound has 22 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the exact mass of the compound?
The exact mass is 446.4002921 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
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CAS
94160-22-2 Purity
96%
94160-22-2 Purity
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CAS
94160-26-6 Purity
96%
94160-26-6 Purity
96%
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CAS
94160-28-8 Purity
96%
94160-28-8 Purity
96%
