AG00IADQ

5840-00-6 | Pyrrolo[3,4-c]pyrrole, octahydro-

AG00IADQ

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CAS Number	5840-00-6
Catalog Number	AG00IADQ(AGN-PC-03GWT9)
Chemical Name	Pyrrolo[3,4-c]pyrrole, octahydro-
IUPAC Name	1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole
InChI	InChI=1S/C6H12N2/c1-5-2-8-4-6(5)3-7-1/h5-8H,1-4H2
InChI Key	QFCMBRXRVQRSSF-UHFFFAOYSA-N
MDL Number	MFCD10000639
Molecular Formula	C6H12N2
Molecular Weight	112.1729
SMILES	C12CNCC1CNC2
Synonyms	octahydropyrrolo(3,4-c)pyrrole, octahydropyrrolo[3,4-C]pyrrole, 5840-00-6, 3,7-Diazabicyclo[3.3.0]Octane, cis-3,7-Diazabicyclo[3.3.0]octane, 19885-60-0, PYRROLO[3,4-C]PYRROLE, OCTAHYDRO-, 3,7-Diazabicyclo(3.3.0)octane, SCHEMBL231562, octahydropyrrolo[3,4 c]pyrrol, SCHEMBL1540946, Octahydropyrrolo[3,4-r]pyrrole, SCHEMBL14224185, CTK5A8252, DTXSID90619100, QFCMBRXRVQRSSF-UHFFFAOYSA-N, 3.7-Diazabicyclo[3.3.0]octane, Pyrrolo[3,4-c]pyrrole,octahydro-, KS-00000OQ2, ANW-53920, cis-Octahydro-pyrrolo[3,4-c]pyrrole, MFCD10000639, MFCD27935365, ZINC88240325, AKOS006229741, AKOS006353687, cis-3,7-Diaza-bicyclo[3.3.0]octan, CS-W018952, GS-3297, PB32853, RP19074, Pyrrolo[3,?4-?c]?pyrrole, octahydro-, AJ-79038, AK-64425, BC675009, SC-19993, SY018659, AB0069455, DB-022135, TC-142665, 4CH-010428, FT-0657271, ST24025700, MFCD27935365 (95%), X-3249, 45899-EP2269977A2, 45899-EP2311807A1, 840D006, A831864, I14-6985, J-511416, 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole,

Complexity	72.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.1g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	112.176g/mol
Monoisotopic Mass	112.1g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	24.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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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