AG0010NV

132414-50-7 | Pyrrolo[3,4-b]pyrrole, octahydro-1-(phenylmethyl)-

AG0010NV

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CAS Number	132414-50-7
Catalog Number	AG0010NV(AGN-PC-03TABO)
Chemical Name	Pyrrolo[3,4-b]pyrrole, octahydro-1-(phenylmethyl)-
IUPAC Name	1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
InChI	InChI=1S/C13H18N2/c1-2-4-11(5-3-1)10-15-7-6-12-8-14-9-13(12)15/h1-5,12-14H,6-10H2
InChI Key	LODPYENASSOOBD-UHFFFAOYSA-N
MDL Number	MFCD08059343
Molecular Formula	C13H18N2
Molecular Weight	202.2954
SMILES	C(C1=CC=CC=C1)N2CCC3C2CNC3
Synonyms	1-Benzyloctahydropyrrolo[3,4-b]pyrrole, 132414-50-7, 1-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE, 1-Benzylhexahydropyrrolo[3,4-b]pyrrole, 1-Benzyl-octahydropyrrolo[3,4-b]pyrrole, Pyrrolo[3,4-b]pyrrole, octahydro-1-(phenylmethyl)-, 1-benzyl-octahydropyrrolo[2,3-c]pyrrole, AK-23551, Pyrrolo[3,4-b]pyrrole,octahydro-1-(phenylmethyl)-, cis-1-Benzylhexahydropyrrolo[3,4-b]pyrrole, 370879-92-8, ACMC-20a10o, SCHEMBL652126, CTK4B7902, DTXSID60626487, LODPYENASSOOBD-UHFFFAOYSA-N, KS-00000JZ7, ANW-52246, MFCD08059343, AKOS015839191, AB43115, CS-W006174, FCH1678275, FS-3223, TRA0043038, AN-32226, BR-23551, SC-59852, AB0035483, AB1001502, AX8027434, DB-062897, ST2415159, TR-004435, 4CH-012762, FT-0649297, X9831, 1-benzyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole, 2-benzyl-2,7-diazabicyclo -[3.3.0]octane, EN300-246066, S-4029, 2-BENZYL-2,7-DIAZABICYCLO[3.3.0]OCTANE, 879B928, A806433, S14-0160, OCTAHYDRO-1-(PHENYLMETHYL)-PYRROLO[3,4-B]PYRROLE, 1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole, 1-(phenylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole, null, C13H18N2, ACN-039557,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.147g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.301g/mol
Monoisotopic Mass	202.147g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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

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