AG0080MR

121206-76-6 | 5-Bromo-3-(1-methyl-4-piperidinyl)indole

AG0080MR

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CAS Number	121206-76-6
Catalog Number	AG0080MR(AGN-PC-0NKULF)
Chemical Name	5-Bromo-3-(1-methyl-4-piperidinyl)indole
IUPAC Name	5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
InChI	InChI=1S/C14H17BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7H2,1H3
InChI Key	OWTKCABHRSIAJY-UHFFFAOYSA-N
MDL Number	MFCD07776584
Molecular Formula	C14H17BrN2
Molecular Weight	293.2022
SMILES	CN1CCC(CC1)C1=CNC2=CC=C(Br)C=C12
Synonyms	121206-76-6, 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole, 5-Bromo-3-(1-methyl-4-piperidinyl)indole, 1H-Indole,5-bromo-3-(1-methyl-4-piperidinyl)-, PubChem11259, ACMC-1C3IX, SCHEMBL4541253, CTK4B2238, DTXSID00577888, OWTKCABHRSIAJY-UHFFFAOYSA-N, MFCD07776584, ZINC22009172, AKOS015911815, AK326259, AS-35573, BC003590, DB-061886, FT-0756682, 5-bromo-3-(N-methyl-4-piperidyl)-1H-indole, B65088, 3-(1-Methyl-4-piperidinyl)-5-bromo-1H-indole, 5-bromo-3-(1-methyl-4-piperidinyl)-1H-indole, 206B766, 1H-Indole, 5-bromo-3-(1-methyl-4-piperidinyl)-, I14-37419, F2167-4337, A2548, 888498-07-5,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.058g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	293.208g/mol
Monoisotopic Mass	292.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	19A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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