AG003PYK

323-79-5 | 2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol

AG003PYK

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CAS Number	323-79-5
Catalog Number	AG003PYK(AGN-PC-0JNZPZ)
Chemical Name	2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol
IUPAC Name	2-[N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
InChI	InChI=1S/C11H14F3NO2/c12-11(13,14)9-2-1-3-10(8-9)15(4-6-16)5-7-17/h1-3,8,16-17H,4-7H2
InChI Key	CSXRYPPKUCHPDW-UHFFFAOYSA-N
MDL Number	MFCD00045980
Molecular Formula	C11H14F3NO2
Molecular Weight	249.2296
NSC Number	103356
SMILES	OCCN(CCO)C1=CC=CC(=C1)C(F)(F)F
Synonyms	323-79-5, 2,2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol, 2,2'-{[3-(trifluoromethyl)phenyl]imino}diethanol, Ethanol,2,2'-[[3-(trifluoroMethyl)phenyl]iMino]bis-, AK-82123, N,N-bis(2-hydroxyethyl)-3-trifluoromethylaniline, NSC103356, ACMC-20ad1a, AC1L6FIU, AC1Q4JMG, SCHEMBL10700469, CTK4G8607, DTXSID80295614, KS-000000OW, ZINC4822403, ANW-67820, MFCD00045980, AKOS016006523, NSC-103356, AJ-52383, CJ-12312, DS-16511, AX8236828, RT-000058, 4CH-000730, ST24038355, 2-[N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol, 2,2'-{[3-(Trifluoromethyl)phenyl]azanediyl}di(ethan-1-ol), AR-1D1045, CID266153, 32607-23-1,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.098g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	249.233g/mol
Monoisotopic Mass	249.098g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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