AG00CK77

354112-08-6 | N,N-DiBoc-4-amino-6-chloropyrimidine

AG00CK77

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CAS Number	354112-08-6
Catalog Number	AG00CK77(AGN-PC-07HB57)
Chemical Name	N,N-DiBoc-4-amino-6-chloropyrimidine
IUPAC Name	tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI	InChI=1S/C14H20ClN3O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10-7-9(15)16-8-17-10/h7-8H,1-6H3
InChI Key	LTXDXOMHOOIKAB-UHFFFAOYSA-N
MDL Number	MFCD10566080
Molecular Formula	C14H20ClN3O4
Molecular Weight	329.7793
SMILES	ClC1=NC=NC(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=C1
Synonyms	354112-08-6, N,N-DiBoc-4-amino-6-chloropyrimidine, Di-tert-butyl (6-chloropyrimidin-4-yl)imidodicarbonate, 6-[Bis(tert-butoxycarbonyl)- amino]-4-chloropyrimidine, AK-24645, 6-[bis(tert-butoxycarbonyl)amino]-4-chloropyrimidine, tert-butyl N-[(tert-butoxy)carbonyl]-N-(6-chloropyrimidin-4-yl)carbamate, SCHEMBL558081, DTXSID30672214, LTXDXOMHOOIKAB-UHFFFAOYSA-N, KS-000024JW, MFCD10566080, QC-754, ZINC40448872, AKOS015919480, DS-0385, FCH2834267, ACM354112086, BR-24645, OR302269, AB0024430, AJ-103081, AX8158401, 4CH-007985, FT-0646145, ST24031248, W5704, N,N-DI-BOC-4-AMINO-6-CHLOROPYRIMIDINE, S-5304, 6[bis(tert-butoxycarbonyl)amino]-4-chloropyrimidine, 6-[Bis(tert-butoxycarbonyl)-amino]-4-chloropyrimidine, 6-[bis-(tert-Butoxycarbonyl)amino]-4-chloropyrimidine, Di-tert-butyl (6-chloropyrimidin-4-yl)-2-imidodicarbonate, tert-butyl N-tert-butoxycarbonyl-N-(6-chloropyrimidin-4-yl)carbamate, tert-butyl N-(tert-butoxycarbonyl)-N-(6-chloropyrimidin-4-yl)carbamate, Imidodicarbonicacid, 2-(6-chloro-4-pyrimidinyl)-, 1,3-bis(1,1-dimethylethyl) ester, tert-butyl N-(6-chloropyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate, C14H20ClN3O4, 6-[Bis(tert-butoxycarbonyl)- amino]-4-chloropyrimidine, 95% - 1G 1g,

Complexity	389
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.114g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	329.781g/mol
Monoisotopic Mass	329.114g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	81.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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