CAS
94087-75-9 Purity
96%
94087-75-9 Purity
96%
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2-[[(1,2-Benzisothiazol-3-yloxy)methyl]methylamino]ethanol
CAS
94087-78-2
Catalog Number
ACM94087782
Category
Other Products
Molecular Weight
238.306060 [g/mol]
Molecular Formula
C11H14N2O2S
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Specification
Synonyms
EINECS 301-972-1, 2-(((1,2-Benzisothiazol-3-yloxy)methyl)methylamino)ethanol, 94087-78-2
IUPAC Name
2-[2-(1,2-benzothiazol-3-yloxy)ethylamino]ethanol
InChI Key
BINXKEXRUHGIBA-UHFFFAOYSA-N
Boiling Point
334.5ºC at 760mmHg
Flash Point
156.1ºC
Density
1.291g/cm³
Exact Mass
238.07800
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C11H14N2O2S.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[1,2-benzothiazol-3-yloxymethyl(methyl)amino]ethanol.
What is the CAS number of the compound?
The CAS number of the compound is 94087-78-2.
What is the molecular weight of the compound?
The molecular weight of the compound is 238.31 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is NUJYXMDEPJKZDB-UHFFFAOYSA-N.
How many hydrogen bond donor atoms are present in the compound?
There is 1 hydrogen bond donor atom present in the compound.
How many hydrogen bond acceptor atoms are present in the compound?
There are 5 hydrogen bond acceptor atoms present in the compound.
How many rotatable bonds are present in the compound?
There are 5 rotatable bonds present in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 73.8 ?^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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