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1353983-43-3 | 2-[Ethyl-(3-trifluoromethyl-benzyl)-amino]-ethanol
CAS No: 1353983-43-3 Catalog No: AG01F90N MDL No:
Product Description
Catalog Number:
AG01F90N
Chemical Name:
2-[Ethyl-(3-trifluoromethyl-benzyl)-amino]-ethanol
CAS Number:
1353983-43-3
Molecular Formula:
C12H16F3NO
Molecular Weight:
247.2567
IUPAC Name:
2-[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
InChI:
InChI=1S/C12H16F3NO/c1-2-16(6-7-17)9-10-4-3-5-11(8-10)12(13,14)15/h3-5,8,17H,2,6-7,9H2,1H3
InChI Key:
NCYFIWMGXZBQJZ-UHFFFAOYSA-N
SMILES:
OCCN(Cc1cccc(c1)C(F)(F)F)CC
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.261g/mol
Monoisotopic Mass:
247.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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