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87476-81-1 | 1-Propanamine, 3-[3-(4-thiomorpholinylmethyl)phenoxy]-
CAS No: 87476-81-1 Catalog No: AG004I6X MDL No:
Product Description
Catalog Number:
AG004I6X
Chemical Name:
1-Propanamine, 3-[3-(4-thiomorpholinylmethyl)phenoxy]-
CAS Number:
87476-81-1
Molecular Formula:
C14H22N2OS
Molecular Weight:
266.4023
IUPAC Name:
3-[3-(thiomorpholin-4-ylmethyl)phenoxy]propan-1-amine
InChI:
InChI=1S/C14H22N2OS/c15-5-2-8-17-14-4-1-3-13(11-14)12-16-6-9-18-10-7-16/h1,3-4,11H,2,5-10,12,15H2
InChI Key:
XAAPTEZWFYMEOX-UHFFFAOYSA-N
SMILES:
NCCCOc1cccc(c1)CN1CCSCC1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.403g/mol
Monoisotopic Mass:
266.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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