CAS
94086-86-9 Purity
96%
94086-86-9 Purity
96%
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(4-Dodecylphenyl)methyl-diethyl-(2-prop-2-enoyloxyethyl)azanium chloride
CAS
94086-90-5
Catalog Number
ACM94086905
Category
Other Products
Molecular Weight
466.13922
Molecular Formula
C28H48ClNO2
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Specification
Synonyms
(p-dodecylbenzyl)diethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride
IUPAC Name
(4-dodecylphenyl)methyl-diethyl-(2-prop-2-enoyloxyethyl)azanium;chloride
Canonical SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C[N+](CC)(CC)CCOC(=O)C=C.[Cl-]
InChI Key
VIQPWVDEZNSQBN-UHFFFAOYSA-M
Density
g/cm³
EC Number
301-881-7
Exact Mass
465.33700
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 3023416?
The molecular formula is C28H48ClNO2.
What is the computed molecular weight of the compound?
The computed molecular weight is 466.1 g/mol.
What are some synonyms for the compound?
Some synonyms include 94086-90-5, EINECS 301-881-7, and (4-Dodecylphenyl)methyl-diethyl-(2-prop-2-enoyloxyethyl)azanium chloride.
What is the IUPAC name of the compound?
The IUPAC name is (4-dodecylphenyl)methyl-diethyl-(2-prop-2-enoyloxyethyl)azanium;chloride.
What is the InChIKey of the compound?
The InChIKey is VIQPWVDEZNSQBN-UHFFFAOYSA-M.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 26.3 Ų.
How many rotatable bonds does the compound have?
The compound has 20 rotatable bonds.
Is the compound's structure canonicalized?
Yes, the compound's structure is canonicalized.
What is the CAS number of the compound?
The CAS number is 94086-90-5.
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