AG00I48L

21850-12-4 | 1H-Isoindole, octahydro-

AG00I48L

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CAS Number	21850-12-4
Catalog Number	AG00I48L(AGN-PC-01YT6P)
Chemical Name	1H-Isoindole, octahydro-
IUPAC Name	2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
InChI	InChI=1S/C8H15N/c1-2-4-8-6-9-5-7(8)3-1/h7-9H,1-6H2
InChI Key	ODSNARDHJFFSRH-UHFFFAOYSA-N
MDL Number	MFCD03265253
Molecular Formula	C8H15N
Molecular Weight	125.2114
SMILES	C1NC[C@@H]2CCCC[C@H]12
Synonyms	Octahydro-1H-isoindole, 21850-12-4, Octahydroisoindole, Octahydro-isoindole, cis-octahydro-isoindole, perhydroisoindole, 1H-Isoindole, octahydro-, 6949-87-7, 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole, EC-000.1857, cis-Octahydroisoindole HCl, (3aS,7aR)-octahydro-1H-isoindole, PubChem23350, Cis-octahydro-isoindoline, ACMC-1CPT9, AC1L8Y3L, KSC630C7P, SCHEMBL258635, CTK5D0177, ODSNARDHJFFSRH-UHFFFAOYSA-N, ACN-S003677, ALBB-004713, BCP04297, ANW-24597, MFCD03265253, STK329072, AKOS005171215, AB13837, AC-1464, CS-W018719, MCULE-2569091430, QC-9199, AK-46514, AN-14893, AN-15651, AN-17218, AS-13484, BC200566, BR-46514, I426, SC-26854, AB0013681, AB1001494, DB-019093, ST2413635, TR-010237, AM20070530, BB 0237482, FT-0658742, A18216, B-7910, 45924-EP2275404A1, 45924-EP2311807A1, 54132-EP2269989A1, 54132-EP2308562A2, 850O124, A815695, I13-0042, J-520092, Z1350579420, null, cis-Octahydroisoindole, CIEC, cis-hexahydroisoindoline, C8H15N.HCl, cis-Octahydro-1H-isoindole, Cis-hexahydroisoindole hydrochloride, NSC25607, CID409979, ACN-031807, 1470-99-1,

Complexity	88.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.12g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	125.215g/mol
Monoisotopic Mass	125.12g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number