AG007F0X

161829-92-1 | Cis-hexahydroisoindole, HCl

AG007F0X

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CAS Number	161829-92-1
Catalog Number	AG007F0X(AGN-PC-0Q847G)
Chemical Name	Cis-hexahydroisoindole, HCl
IUPAC Name	(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride
InChI	InChI=1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h7-9H,1-6H2;1H/t7-,8+;
InChI Key	CLQIZUYXKFTUEB-KVZVIFLMSA-N
MDL Number	MFCD09026400
Molecular Formula	C8H16ClN
Molecular Weight	161.6723
SMILES	[H][C@@]12CNC[C@]1([H])CCCC2.[H]Cl
Synonyms	161829-92-1, cis-Octahydro-1H-isoindole hydrochloride, cis-Octahydroisoindole hydrochloride, (3aR,7aS)-octahydro-1H-isoindole hydrochloride, Cis-Hexahydroisoindoline Hydrogen Chloride, AK-50701, 1H-Isoindole, octahydro-, hydrochloride, (3aR,7aS)-rel-, cis-Octahydroisoindole HCl, Cis-hexahydroisoindole, HCl, cis-Hexahydroisoindoline HCl, Cis-Octahydro-isoindole HCl, KSC497C1L, CTK3J7115, DTXSID40670009, KS-00000P0L, ANW-44716, MFCD09026400, AKOS015915066, OR53183, AC-24415, DS-15518, AB0052446, AB1004887, AX8216649, RT-003537, ST2406748, Z5468, EN300-245188, M-3501, 470O991, I14-6710, I14-9549, Z1198182421, (3aR,7aS)-Octahydro-1H-isoindole--hydrogen chloride (1/1), (3aR,7aS)-2,3,3a,4,5,6,7,7a-Octahydro-1H-isoindole hydrochloride, 1H-Isoindole,octahydro-, hydrochloride, (3aR,7aS)-rel- (9CI); cis-octahydro-1H-Isoindole, hydrochloride, 2097437-01-7, C8H15N.HCl, cis-Octahydroisoindolehydrochloride, Cis-hexahydroisoindole hydrochloride, ACN-034417, (3Ar,7as)-rel-octahydro-1H-isoindole hydrochloride, 1H-Isoindole, octahydro-, hydrochloride (1:1), (3aR,7aS)-rel-, 1470-99-1, 21850-12-4,

Complexity	88.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	161.097g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	161.673g/mol
Monoisotopic Mass	161.097g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number