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94087-87-3 | Ethanamine, N-[(1,2-benzisothiazol-3-yloxy)methyl]-N-ethyl-
CAS No: 94087-87-3 Catalog No: AG006S42 MDL No:
Product Description
Catalog Number:
AG006S42
Chemical Name:
Ethanamine, N-[(1,2-benzisothiazol-3-yloxy)methyl]-N-ethyl-
CAS Number:
94087-87-3
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
IUPAC Name:
N-(1,2-benzothiazol-3-yloxymethyl)-N-ethylethanamine
InChI:
InChI=1S/C12H16N2OS/c1-3-14(4-2)9-15-12-10-7-5-6-8-11(10)16-13-12/h5-8H,3-4,9H2,1-2H3
InChI Key:
GZCHAXSDZLOSHJ-UHFFFAOYSA-N
SMILES:
CCN(COc1nsc2c1cccc2)CC
EC Number:
301-982-6
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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