AG0096NP

1209646-17-2 | 5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid

AG0096NP

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CAS Number	1209646-17-2
Catalog Number	AG0096NP(AGN-PC-0WAMNS)
Chemical Name	5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid
IUPAC Name	5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
InChI	InChI=1S/C14H20N4O4/c1-14(2,3)22-13(21)18-6-4-17(5-7-18)11-9-15-10(8-16-11)12(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)
InChI Key	ANDWAJHNYJXSJC-UHFFFAOYSA-N
MDL Number	MFCD12923092
Molecular Formula	C14H20N4O4
Molecular Weight	308.3330
SMILES	O=C(C1=NC=C(N2CCN(C(OC(C)(C)C)=O)CC2)N=C1)O
Synonyms	5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid, 1209646-17-2, AK-28353, 5-(4-Boc-piperazinyl)-2-pyrazinecarboxylicacid, 5-[4-(tert-Butoxycarbonyl)piperazin-1-yl]pyrazine-2-carboxylic acid, SCHEMBL876797, KS-00000HIP, DTXSID60672000, MFCD12923092, ZINC40448485, AKOS022175363, BBV-45000641, DS-10985, AJ-102764, AX8159103, CS-0060950, FT-0743210, 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid, N/A,

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.148g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	308.338g/mol
Monoisotopic Mass	308.148g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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