AG004TI4

842965-35-9 | 3-CHLORO-2-(4-METHYL-1-PIPERIDINYL)ANILINE

AG004TI4

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CAS Number	842965-35-9
Catalog Number	AG004TI4(AGN-PC-0WB51I)
Chemical Name	3-CHLORO-2-(4-METHYL-1-PIPERIDINYL)ANILINE
IUPAC Name	3-chloro-2-(4-methylpiperidin-1-yl)aniline
InChI	InChI=1S/C12H17ClN2/c1-9-5-7-15(8-6-9)12-10(13)3-2-4-11(12)14/h2-4,9H,5-8,14H2,1H3
InChI Key	SIANBLRPQFBPBJ-UHFFFAOYSA-N
MDL Number	MFCD06010255
Molecular Formula	C12H17ClN2
Molecular Weight	224.7298
SMILES	NC1=CC=CC(Cl)=C1N2CCC(C)CC2
Synonyms	842965-35-9, 3-chloro-2-(4-methylpiperidin-1-yl)aniline, 3-Chloro-2-(4-methyl-piperidin-1-yl)-phenylamine, 3-CHLORO-2-(4-METHYL-1-PIPERIDINYL)ANILINE, AC1LL5Z5, TimTec1_008156, CTK5F2158, DTXSID80360114, HMS1557C16, SP087, ZINC793219, ZX-CM017819, 0401AF, MFCD06010255, SBB085523, AKOS000102069, MCULE-3983421237, RTR-055610, AJ-23888, AK108565, BAS 05307657, 3-chloro-2-(4-methylpiperidyl)phenylamine, TR-055610, Y-2024, 3-Chloro-2-(4-methyl-piperidin-1-yl)phenylamine, SR-01000325696, [3-chloro-2-(4-methylpiperidin-1-yl)phenyl]amine, SR-01000325696-1, C12H17ClN2, 3-CHLORO-2- -PHENYLAMINE, ZINC00793219, CID1079271,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.108g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.732g/mol
Monoisotopic Mass	224.108g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.3A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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