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89225-89-8 | 2-Propanol, 1-[(2-aminoethyl)amino]-3-[2-(trifluoromethyl)phenoxy]-
CAS No: 89225-89-8 Catalog No: AG00436U MDL No:
Product Description
Catalog Number:
AG00436U
Chemical Name:
2-Propanol, 1-[(2-aminoethyl)amino]-3-[2-(trifluoromethyl)phenoxy]-
CAS Number:
89225-89-8
Molecular Formula:
C12H17F3N2O2
Molecular Weight:
278.2708
IUPAC Name:
1-(2-aminoethylamino)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
InChI:
InChI=1S/C12H17F3N2O2/c13-12(14,15)10-3-1-2-4-11(10)19-8-9(18)7-17-6-5-16/h1-4,9,17-18H,5-8,16H2
InChI Key:
MSPSUVUWYMJUSV-UHFFFAOYSA-N
SMILES:
NCCNCC(COc1ccccc1C(F)(F)F)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.124g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.275g/mol
Monoisotopic Mass:
278.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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