AG001VLL

161058-83-9 | 9H-Purin-2-amine, 6-(cyclohexylmethoxy)-

AG001VLL

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CAS Number	161058-83-9
Catalog Number	AG001VLL(AGN-PC-0JK6XL)
Chemical Name	9H-Purin-2-amine, 6-(cyclohexylmethoxy)-
IUPAC Name	6-(cyclohexylmethoxy)-7H-purin-2-amine
InChI	InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChI Key	MWGXGTJJAOZBNW-UHFFFAOYSA-N
MDL Number	MFCD05664734
Molecular Formula	C12H17N5O
Molecular Weight	247.2963
NSC Number	707619
SMILES	NC1=NC(OCC2CCCCC2)=C3N=CNC3=N1
Synonyms	NU2058, O(6)-cyclohexylmethylguanine, nu2058, 161058-83-9, 6-(cyclohexylmethoxy)-9H-purin-2-amine, 6-O-CYCLOHEXYLMETHYL GUANINE, 2-amino-6-[(cyclohexylmethyl)oxy]purine, NU 2058, NU-2058, 2-amino-6-cyclohexylmethoxypurine, O6-Cyclohexylmethylguanine, CHEMBL269881, 9H-Purin-2-amine, 6-(cyclohexylmethoxy)-, MFCD05664734, 1e1v, O(6)-cyclohexylmethylguanine, 1h1p, O-Cyclohexylmethylguanine, AC1Q4XUD, O6-Cyclohexylmethyl guanine, AC1L1IG4, O6-(Cyclohexylmethyl)guanine, MLS001074898, BDBM5485, SCHEMBL3462331, CTK0E6580, CTK8D6642, AOB6207, EX-A790, HMS2233F06, HMS3262L18, HMS3372K06, BCP19068, ZINC3873285, Tox21_500938, NSC707619, AKOS022181492, AKOS028109282, ACN-053039, CCG-222242, CS-4977, DB02407, LP00938, NSC-707619, ABA-8861187, KS-000017X6, SMP2_000088, 6-(cyclohexylmethoxy)-7H-purin-2-amine, NCGC00165843-01, NCGC00261623-01, AJ-46375, AK-61026, HY-19316, NCI60_038221, NU2058, >98% (HPLC), SMR000568417, FT-0700226, N0958, ST24045054, J-009777, D0R1FT, D0SJ6Y, CID4564, AR-1D8611, UN2058, 1H-Purin-2-amine, 6-(cyclohexylmethoxy)-, A15767, C466913, 16469-21-9, CMG,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.143g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.302g/mol
Monoisotopic Mass	247.143g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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