AG0033T6

58113-36-3 | 4-(Bis(4-fluorophenyl)methylene)piperidine

AG0033T6

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CAS Number	58113-36-3
Catalog Number	AG0033T6(AGN-PC-0KK0A9)
Chemical Name	4-(Bis(4-fluorophenyl)methylene)piperidine
IUPAC Name	4-[bis(4-fluorophenyl)methylidene]piperidine
InChI	InChI=1S/C18H17F2N/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14/h1-8,21H,9-12H2
InChI Key	KNNQGZBGAQFPCY-UHFFFAOYSA-N
MDL Number	MFCD13192725
Molecular Formula	C18H17F2N
Molecular Weight	285.3311
SMILES	Fc1ccc(cc1)C(=C1CCNCC1)c1ccc(cc1)F
Synonyms	4-(Bis(4-fluorophenyl)methylene)piperidine, 58113-36-3, 4-[bis(4-fluorophenyl)methylidene]piperidine, Piperidine, 4-[bis(4-fluorophenyl)methylene]-, AK120660, 4-[bis(4-fluorophenyl)methylene]piperidine, 4-(bis(4-fluorophenyl)-methylene)piperidine, 4-[bis(4-fluorophenyl)-methylene]piperidine, AC1MC4X8, SCHEMBL2539292, C18H17F2N, CTK1F0486, DTXSID10369130, KNNQGZBGAQFPCY-UHFFFAOYSA-N, ZINC6661550, 8595AB, AKOS016011302, DS-6244, AJ-56534, 4-[bis(4-flurophenyl)methylene]piperidine, AX8246076, 4-[bis(4-fluorophenyl)methylene]-piperidine, 2-(1-Ethylpropyl)-Naphthalene, CID2724436, 4-[BIS-(4-FLUOROPHENYL)METHYLENE]PIPERIDINE,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.133g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	285.338g/mol
Monoisotopic Mass	285.133g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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