CAS
94087-25-9 Purity
96%
94087-25-9 Purity
96%
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3-(1,2-Benzisothiazol-3-yloxy)-N,N,2-trimethylpropylamine
CAS
94087-29-3
Catalog Number
ACM94087293
Category
Other Products
Molecular Weight
250.359820 [g/mol]
Molecular Formula
C13H18N2OS
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Specification
Synonyms
3-(1,2-Benzisothiazol-3-yloxy)-N,N,2-trimethylpropylamine, 94087-29-3, CTK5H4815, EINECS 301-922-9, AG-H-86624
IUPAC Name
3-(1,2-benzothiazol-3-yloxy)-N,N,2-trimethylpropan-1-amine
InChI Key
SHFVVLRIJMFSIG-UHFFFAOYSA-N
Boiling Point
306.3ºC at 760mmHg
Flash Point
139ºC
Density
1.135g/cm³
Exact Mass
250.11400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula is C13H18N2OS.
What is the IUPAC name of the compound?
The IUPAC name is 3-(1,2-benzothiazol-3-yloxy)-N,N,2-trimethylpropan-1-amine.
What is the InChI of the compound?
The InChI is InChI=1S/C13H18N2OS/c1-10(8-15(2)3)9-16-13-11-6-4-5-7-12(11)17-14-13/h4-7,10H,8-9H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey is SHFVVLRIJMFSIG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(CN(C)C)COC1=NSC2=CC=CC=C21.
What is the CAS number of the compound?
The CAS number is 94087-29-3.
What is the European Community (EC) number of the compound?
The EC number is 301-922-9.
What is the DSSTox Substance ID of the compound?
The DSSTox Substance ID is DTXSID20916558.
What is the molecular weight of the compound?
The molecular weight is 250.36 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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