AG00FC0U

718632-46-3 | Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester

AG00FC0U

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CAS Number	718632-46-3
Catalog Number	AG00FC0U(AGN-PC-0WCMSV)
Chemical Name	Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester
IUPAC Name	5-O-tert-butyl 2-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-2,5-dicarboxylate
InChI	InChI=1S/C15H24N4O4/c1-7-22-13(21)19-11(16)9-8-18(12(20)23-14(2,3)4)15(5,6)10(9)17-19/h7-8,16H2,1-6H3
InChI Key	ULJAXXIYTXRCKL-UHFFFAOYSA-N
MDL Number	MFCD20134032
Molecular Formula	C15H24N4O4
Molecular Weight	324.3755
SMILES	O=C(N1N=C(C(C)(C)N(C(OC(C)(C)C)=O)C2)C2=C1N)OCC
Synonyms	718632-46-3, 5-tert-Butyl 2-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate, 5-tert-Butyl 2-ethyl 3-amino-6,6-dimethylpyrrolo-[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate, SCHEMBL1206431, KS-00001CHE, DTXSID70727010, ULJAXXIYTXRCKL-UHFFFAOYSA-N, CS-M1808, 1157AC, MFCD20134032, ZINC91296976, NE64282, AS-36596, DA-17337, Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid ,3-amino-6,6-dimethyl-,5-(1,1-dimethylethyl)2-ethyl ester, AJ-129251, AX8245082, FT-0715567, 3-Amino-5-Boc-2-ethoxycarbonly-6,6-dimethyl-4H,6H-pyrrolo[3,4-c]pyrazole, 3-Amino-5-Boc-2-ethoxycarbonly-6,6-dimethyl-4H,6H-pyrrolo3,4-cpyrazole, 3-amino-6,6-dimethyl- Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid 5-(1,1-dimethylethyl) 2-ethyl ester, 3-amino-6,6-dimethyl-4H,6H-pyrrolo[3,4-c]pyrazole-2,5-dicarboxylic acid 5-tert-butyl ester 2-ethyl ester, 5-(tert-butyl) 2-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate, Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid,3-aMino-6,6-diMethyl-,5-(1,1-diMethylethyl) 2-ethyl ester, C15H24N4O4, 5-tert-Butyl2-ethyl3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate, Pyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylic acid, 3-amino-6,6-dimethyl-, 5-(1,1-dimethylethyl) 2-ethyl ester,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	324.18g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	324.381g/mol
Monoisotopic Mass	324.18g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	99.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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