AG009AB0

1354486-07-9 | (3S,4S)-1-benzyl-N,4-diMethylpiperidin-3-aMine

AG009AB0

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CAS Number	1354486-07-9
Catalog Number	AG009AB0(AGN-PC-0WAMNQ)
Chemical Name	(3S,4S)-1-benzyl-N,4-diMethylpiperidin-3-aMine
IUPAC Name	(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride
InChI	InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m0../s1
InChI Key	CVQNXCBXFOIHLH-CIKMBUIBSA-N
MDL Number	MFCD09878607
Molecular Formula	C14H24Cl2N2
Molecular Weight	291.2598
SMILES	C[C@@H]1[C@H](NC)CN(CC2=CC=CC=C2)CC1.[H]Cl.[H]Cl
Synonyms	(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride, 1354486-07-9, Tofacitinib Impurity 02, cis-1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride, 477600-68-3, CIS-1-BENZYL-3-(METHYLAMINO)-4-METHYLPIPERIDINE DIHYDROCHLORIDE, CVQNXCBXFOIHLH-CIKMBUIBSA-N, MFCD09864744, C14H22N2.2ClH, SCHEMBL2148084, CTK6I1333, KS-00000HGG, DTXSID50716624, CS-M1988, 2871AH, MFCD11841111, AKOS015844889, AKOS015894598, AF-0011, RP15817, SB22747, SC-93228, cisbenzyldimethylpiperidinaminedihydrochloride, DB-059460, TC-308085, I05-1623, cis-1-Benzyl-3-(methylamino)-4-methylpiperidine diHCl, (3S,4S)-1-Benzyl-N,4-dimethylpiperidin-3-amine--hydrogen chloride (1/2), 3-Piperidinamine pound notN pound not4-dimethyl-1-(phenylmethyl)- pound not h, racemic cis-(1-benzyl-4-methyl-piperidine-3-yl)-methylamine bis hydrochloride, 1062580-52-2, (3S,4S)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE, (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride, cis-N-Benzyl-3-methylamino-4-methyl-piperidine Bis-(hydrochloride), 22921-68-2,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	290.132g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	291.26g/mol
Monoisotopic Mass	290.132g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

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