AG0010NS

132414-80-3 | Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-1-(phenylmethyl)-, 1,1-dimethylethyl ester

AG0010NS

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CAS Number	132414-80-3
Catalog Number	AG0010NS(AGN-PC-044N9F)
Chemical Name	Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-1-(phenylmethyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
InChI	InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15-9-10-19(16(15)13-20)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChI Key	YESBJFJJWMHILD-UHFFFAOYSA-N
MDL Number	MFCD09953041
Molecular Formula	C18H26N2O2
Molecular Weight	302.4112
SMILES	CC(C)(C)OC(=O)N1CC2CCN(CC3=CC=CC=C3)C2C1
Synonyms	132414-80-3, tert-Butyl 1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, 1-Benzyl-5-Boc-hexahydropyrrolo[3,4-b]pyrrole, 5-BOC-1-BENZYL-HEXAHYDROPYRROLO[3,4-B]PYRROLE, W-205403, SCHEMBL3068861, CTK7G2663, DTXSID80634746, ANW-48533, MFCD09953041, SC1451, AKOS015839190, FCH2716942, RP08000, AK-28044, AS-54605, BR-28044, AB0035484, AB1004508, AX8157934, DB-062898, TR-039678, FT-0645600, ST24031712, X9832, S-7242, 414B814, I14-32444, tert-butyl 1-benzyl-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate, tert-butyl 1-benzyl-octahydropyrrolo[2,3-c]pyrrole-5-carboxylate, tert-butyl 1-benzyl-octahydropyrrolo[3,4-b]pyrrole-5-carboxylate, 1-Benzylhexahydropyrrolo[3,4-b]pyrrole-5-carboxylicacid tert-butyl ester, Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-1-(phenylmethyl)-, 1,1-dimethylethyl ester, C18H26N2O2, tert-butyl 1-benzyl-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, tert-butyl 1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate, 132414-81-4,

Complexity	398
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	2.9

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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