AG000TQM

129830-38-2 | (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride

AG000TQM

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CAS Number	129830-38-2
Catalog Number	AG000TQM(AGN-PC-0PJ2N2)
Chemical Name	(1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride
IUPAC Name	4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
InChI	InChI=1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11?,12?;;/m1../s1
InChI Key	IDDDVXIUIXWAGJ-DDSAHXNVSA-N
MDL Number	MFCD03490488
Molecular Formula	C14H23Cl2N3O
Molecular Weight	320.2579
SMILES	Cl.Cl.N[C@H](C)[C@@H]1CC[C@H](CC1)C(=O)NC1=CC=NC=C1
UNII	Q9828II7F3
Synonyms	N-(4-pyridyl)-4-(1-aminoethyl)cyclohexanecarboxamide, Y 27632, Y 27632, (4(R)-trans)-isomer, Y 27632, (4(S)-trans)-isomer, Y 27632, (trans)-isomer, Y 27632, dihydrochloride, (4(R)-trans)-isomer, Y-27632, Y27632, Y-27632 dihydrochloride, 129830-38-2, Y-27632 2HCl, Y-27632 (dihydrochloride), Y 27632 dihydrochloride, UNII-Q9828II7F3, (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride, Y27632 2HCl, Y27632, Q9828II7F3, Y 27632, (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexane-1-carboxamide dihydrochloride, Y 27632 hydrochloride, Y 27632 HCl, 138381-45-0, (R)-(+)-trans-4-(1-Aminoethyl)-N-(4-Pyridyl)cyclohexanecarboxamide dihydrochloride, cc-26, C14H21N3O.2ClH, SCHEMBL819701, SCHEMBL819702, CHEMBL536267, CHEMBL1605605, DTXSID3042635, KS-00000XGM, AOB3877, EX-A423, Tox21_500333, ABP000260, BS0207, MFCD03490488, AKOS024456492, AKOS026673937, CCG-100675, CS-0878, KIN0000327, NCGC00092276-01, NCGC00093773-01, NCGC00261018-01, BC600352, HY-10583, AB0033836, FT-0771389, S1049, SW219086-1, X7611, Y-27632 dihydrochloride, >=98% (HPLC), F10047, F10064, SR-00000001060, J-005723, SR-00000001060-1, (r)-(+)-trans-N-(4-pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamide dihydrochloride, 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide dihydrochloride, Cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, hydrochloride (1:2), trans-, trans-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride, trans-4-[(1R)-1-Aminoethyl]-N-4-pyridinylcyclohexanecarboxamide dihydrochloride, trans-4-[(R)-1-Aminoethyl]-N-(4-pyridyl)cyclohexanecarboxamide dihydrochloride, Trans-4-[(1R)-1-Aminoethyl]-N-4-pyridinylcyclohexanecarboxamide dihydrochloride (Y-27632 dihydrochloride), y-27632, C14-H21-N3-O.2Cl-H, CID9901617, 146986-50-7, A11001, N-(4-Pyridyl)-4-(1-aminoethyl)cyclohexanecarboxamide dihydrochloride, Y-27632 dihydrochloride, 98.5%, a selective ROCK1 (p160ROCK) inhibitor - 10MG 10mg,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	319.122g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	320.258g/mol
Monoisotopic Mass	319.122g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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