CAS
94248-85-8 Purity
96%
94248-85-8 Purity
96%
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(3-Chloro-2-hydroxypropyl)dimethyl[3-[[(octadecylamino)carbonyl]amino]propyl]ammonium chloride
CAS
94248-89-2
Catalog Number
ACM94248892
Category
Other Products
Molecular Weight
526.66638
Molecular Formula
C27H57Cl2N3O2
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Specification
Synonyms
(3-chloro-2-hydroxypropyl)dimethyl[3-[[(octadecylamino)carbonyl]amino]propyl]ammonium chloride;EINECS 304-364-4
What is the molecular weight of (3-Chloro-2-hydroxypropyl)dimethyl[3-[[(octadecylamino)carbonyl]amino]propyl]ammonium chloride?
The molecular weight is 526.7 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (3-chloro-2-hydroxypropyl)-dimethyl-[3-(octadecylcarbamoylamino)propyl]azanium;chloride.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is CCCCCCCCCCCCCCCCCCNC(=O)NCCC[N+](C)(C)CC(CCl)O.[Cl-].
What is the InChIKey of the compound?
The InChIKey is LABKLUVCGXWNBH-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 61.4 Ų.
How many rotatable bond counts does the compound have?
The compound has 24 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many heavy atoms are present in the compound?
There are 34 heavy atoms present in the compound.
What is the exact mass of the compound?
The exact mass is 525.3827835 g/mol.
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CAS
94248-86-9 Purity
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94248-86-9 Purity
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CAS
94248-87-0 Purity
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94248-87-0 Purity
96%
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