AG0031V0

309947-86-2 | Imidodicarbonic acid, 2-(9H-purin-6-yl)-, 1,3-bis(1,1-dimethylethyl) ester

AG0031V0

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CAS Number	309947-86-2
Catalog Number	AG0031V0(AGN-PC-0N5FQL)
Chemical Name	Imidodicarbonic acid, 2-(9H-purin-6-yl)-, 1,3-bis(1,1-dimethylethyl) ester
IUPAC Name	tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate
InChI	InChI=1S/C15H21N5O4/c1-14(2,3)23-12(21)20(13(22)24-15(4,5)6)11-9-10(17-7-16-9)18-8-19-11/h7-8H,1-6H3,(H,16,17,18,19)
InChI Key	WNOSWAQZBWMIGM-UHFFFAOYSA-N
MDL Number	MFCD12031227
Molecular Formula	C15H21N5O4
Molecular Weight	335.3583
SMILES	O=C(N(c1ncnc2c1[nH]cn2)C(=O)OC(C)(C)C)OC(C)(C)C
Synonyms	309947-86-2, tert-Butyl N-tert-butoxycarbonyl-N-(7H-purin-6-yl)carbamate, 6-[Bis(Boc)amino]purine, Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate, tert-butyl N-[(tert-butoxy)carbonyl]-N-(9H-purin-6-yl)carbamate, AK-88134, N6,N6-DiBoc-adenine, 6-[Bis(tert-butoxycarbonyl)amino]-9H-purine, SCHEMBL13505462, SCHEMBL16783597, CTK8C1967, DTXSID50440896, WNOSWAQZBWMIGM-UHFFFAOYSA-N, 3297AB, ANW-67520, MFCD17676144, ZINC38961761, AKOS015896804, AKOS016006745, CS-W007110, FCH2792939, N6,N6-bis(tert-Butoxycarbonyl)-adenine, AJ-97228, AN-17174, DS-18434, SY027708, AX8237309, TC-156265, FT-0653464, ST24050097, KS-00000115, MFCD17676144 (95%), Di-tert-butyl 7H-purin-6-yl-2-imidodicarbonate, A820685, I07-0079, Imidodicarbonic acid, 2-(9H-purin-6-yl)-, 1,3-bis(1,1-dimethylethyl) ester, N-[(2-methylpropan-2-yl)oxy-oxomethyl]-N-(7H-purin-6-yl)carbamic acid tert-butyl ester, N6-Diboc adenine, C15H21N5O4, CID10497007, tert-ButylN-tert-butoxycarbonyl-N-(7H-purin-6-yl)carbamate,

Complexity	457
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	335.159g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	335.364g/mol
Monoisotopic Mass	335.159g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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