CAS
94087-28-2 Purity
96%
94087-28-2 Purity
96%
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2-(1,2-Benzisothiazol-3-yloxy)-N,N-dimethylpropylamine
CAS
94087-31-7
Catalog Number
ACM94087317
Category
Other Products
Molecular Weight
236.333240 [g/mol]
Molecular Formula
C12H16N2OS
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Specification
Synonyms
2-(1,2-Benzisothiazol-3-yloxy)-N,N-dimethylpropylamine, 94087-31-7, CTK5H4817, EINECS 301-925-5, AG-H-86626
IUPAC Name
2-(1,2-benzothiazol-3-yloxy)-N,N-dimethylpropan-1-amine
InChI Key
RPTSTYWJKBQOIF-UHFFFAOYSA-N
Boiling Point
282.5ºC at 760mmHg
Flash Point
124.7ºC
Density
1.158g/cm³
Exact Mass
236.09800
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound 2-(1,2-Benzisothiazol-3-yloxy)-N,N-dimethylpropylamine?
The molecular formula is C12H16N2OS.
When was the compound first created and when was it last modified?
It was first created on October 30, 2011, and last modified on December 30, 2023.
What is the IUPAC Name of the compound?
The IUPAC Name is 2-(1,2-benzothiazol-3-yloxy)-N,N-dimethylpropan-1-amine.
What is the InChIKey of the compound?
The InChIKey is RPTSTYWJKBQOIF-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the molecular weight of the compound?
The molecular weight is 236.34 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.1.
How many rotatable bonds does the compound have?
The compound has 4 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area is 53.6 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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