AG00CIT3

350684-49-0 | TERT-BUTYL 4-(4-AMINOBENZOYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

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CAS Number	350684-49-0
Catalog Number	AG00CIT3(AGN-PC-0KKPGV)
Chemical Name	TERT-BUTYL 4-(4-AMINOBENZOYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
IUPAC Name	tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate
InChI	InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)12-4-6-13(17)7-5-12/h4-7H,8-11,17H2,1-3H3
InChI Key	PCJKGZGOTDJFBX-UHFFFAOYSA-N
MDL Number	MFCD06659531
Molecular Formula	C16H23N3O3
Molecular Weight	305.3721
SMILES	O=C(N1CCN(C(C2=CC=C(N)C=C2)=O)CC1)OC(C)(C)C
Synonyms	350684-49-0, tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate, tert-butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate, AK-83528, butylaminobenzoyltetrahydropyrazinecarboxylate, SCHEMBL110336, AC1MC866, CTK4H3489, KS-00000ITI, DTXSID00376914, PCJKGZGOTDJFBX-UHFFFAOYSA-N, ZINC3883309, ZX-AT016186, AB3285, ANW-54922, MFCD06659531, OR9915, AKOS002683255, API0004359, MCULE-2688789859, MP-0965, RP16200, RTR-014463, ACM350684490, AJ-46762, CJ-11119, AX8182389, TR-014463, 4CH-009560, CS-0060941, FT-0679976, ST24031792, Z4635, 10Y-0700, A1-05581, J-019853, J-524621, I01-15901, tert-butyl 4-(4-amino-benzoyl)piperazine-1-carboxylate, 2-[3-Bromo-2-oxo-5-(trifluoromethyl)-1-pyridyl]acetamide, 2-Methyl-2-propanyl 4-(4-aminobenzoyl)-1-piperazinecarboxylate, 4-(4-amino-benzoyl)-piperazine-1-carboxylic acid tert-butyl ester, tert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate, AldrichCPR, C16H23N3O3, ZINC03883309, ACN-031440, CID2763355, tert-Butyl4-(4-aminobenzoyl)piperazine-1-carboxylate, 1-Piperazinecarboxylic acid, 4-(4-aminobenzoyl)-, 1,1-dimethylethyl ester,

Complexity	403
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.174g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	305.378g/mol
Monoisotopic Mass	305.174g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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