AG00ANJB

186202-73-3 | 5-BENZYL-2-BOC-HEXAHYDRO-PYRROLO[3,4-C]PYRROLE

AG00ANJB

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CAS Number	186202-73-3
Catalog Number	AG00ANJB(AGN-PC-0K6A6N)
Chemical Name	5-BENZYL-2-BOC-HEXAHYDRO-PYRROLO[3,4-C]PYRROLE
IUPAC Name	tert-butyl 2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
InChI	InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15-10-19(11-16(15)13-20)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChI Key	WUEVXPVJRUPJLC-UHFFFAOYSA-N
MDL Number	MFCD18909636
Molecular Formula	C18H26N2O2
Molecular Weight	302.4112
SMILES	O=C(N1CC(CN(CC2=CC=CC=C2)C3)C3C1)OC(C)(C)C
Synonyms	186202-73-3, tert-Butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate, 5-BENZYL-2-BOC-HEXAHYDRO-PYRROLO[3,4-C]PYRROLE, tert-butyl 5-benzyl-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate, 5-Benzyl-hexahydro-pyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester, tert-butyl 2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, AC1N5G5X, SCHEMBL584450, CTK8I4584, DTXSID30400236, tert-butyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, WUEVXPVJRUPJLC-UHFFFAOYSA-N, KS-000026NG, MFCD18909636, AKOS015996888, ACN-028899, HG-0052, QC-11548, SC-99720, 4CH-017078, ST24050043, 2-Benzyl-5-Boc-octahydropyrrolo[3,4-c]pyrrole, tert-butyl 5-benzyl-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylate, 5-Benzylhexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid tert-butyl ester, tert-butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)- carboxylate, CID4171147, cis-5-Benzyl-2-Boc-hexahydropyrrolo[3,4-c]pyrrole, 370879-56-4, cis-tert-Butyl 5-benzylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate, Tert-butyl 7-benzyl-3,7-diazabicyclo[3.3.0]octane-3-carboxylate,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.199g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	302.418g/mol
Monoisotopic Mass	302.199g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	32.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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