AG002BXH

19916-73-5 | 9H-Purin-2-amine, 6-(phenylmethoxy)-

AG002BXH

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CAS Number	19916-73-5
Catalog Number	AG002BXH(AGN-PC-0O6W3A)
Chemical Name	9H-Purin-2-amine, 6-(phenylmethoxy)-
EC Number	449-870-7
IUPAC Name	6-phenylmethoxy-7H-purin-2-amine
InChI	InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChI Key	KRWMERLEINMZFT-UHFFFAOYSA-N
MDL Number	MFCD00269931
Molecular Formula	C12H11N5O
Molecular Weight	241.2486
NSC Number	637037
SMILES	C1(=CC=CC=C1)COC1=C2N=CNC2=NC(=N1)N
UNII	01KC87F8FE
Synonyms	6-O-benzylguanine, O(6)-benzylguanine, O(6)-bGua, O6-benzylguanine, o6-benzylguanine, 6-O-Benzylguanine, 19916-73-5, 6-(Benzyloxy)-7H-purin-2-amine, O(6)-Benzylguanine, 2-amino-6-benzyloxypurine, 6-(benzyloxy)-9H-purin-2-amine, 2-Amino-6-(benzyloxy)purine, O(6)-Bgua, 6-(Benzyloxy)guanine, 6-Benzyloxyguanine, 6-Benzyloxy guanine, 6-(Phenylmethoxy)-1H-purin-2-amine, 2-Amino-6-(phenylmethoxy)-9H-purine, O6-BG, UNII-01KC87F8FE, 1H-Purin-2-amine, 6-(phenylmethoxy)-, 6-BENZYLGUANINE, Purine, 2-amino-6-(benzyloxy)-, MFCD00269931, NSC 637037, 01KC87F8FE, CHEMBL407874, 6-benzyloxy-7H-purin-2-amine, 6-phenylmethoxy-7H-purin-2-amine, KRX-0402, NSC637037, 1000874-21-4, SMR000326791, 916B735, CCRIS 9383, 6-(benzyloxy)-3h-purin-2-amine, O6 -benzylguanine, O-6-Benzylguanine, O(6) Benzylguanine, PubChem9681, Purine, 8CI), AC1Q4XUE, Lopac-B-2292, AC1L1IH7, 6-benzyloxy-2-amino-purine, Lopac0_000181, SCHEMBL61740, KSC542O1R, MLS000859930, MLS001074887, MLS006010145, 6-benzyloxy-9H-purin-2-amine, BDBM5491, 2-Amino-6-benzyloxy-9H-purine, 0.4 CH3OH, CTK4E2718, DTXSID20173700, KRWMERLEINMZFT-UHFFFAOYSA-N, 6-(phenylmethoxy)purine-2-ylamine, HMS2234P23, HMS3260F03, HMS3369A16, BCP08777, KS-00000DP7, O6-Substituted Guanine Deriv. 31, ZINC5425464, 6-(Benzyloxy)-7H-purin-2-ylamine, Tox21_500181, AN-984, ANW-43110, SBB069180, AKOS015919415, AKOS015963409, AKOS028109331, 9H-Purin-2-amine,6-(phenylmethoxy)-, AC-1076, CB-1184, CCG-204276, CS-W002585, DB11919, KS-5281, LP00181, LS20601, NSC-637037, RL02491, RTR-030959, SB17232, 9H-Purin-2-amine, 6-(phenylmethoxy)-, NCGC00015144-01, NCGC00015144-02, NCGC00015144-03, NCGC00015144-04, NCGC00093660-01, NCGC00093660-02, NCGC00260866-01, AJ-54058, AK-47518, BC215630, BR-47518, H350, NCI60_012280, Purine, 2-amino-6-(benzyloxy)- (, ), SC-02184, SY008080, O6-Benzylguanine, >=98% (TLC), solid, AB0013002, AB1003839, LS-126405, TR-030959, 4CH-006286, AM20060538, EU-0100181, FT-0650712, ST24033084, Y2972, MFCD00269931 (98%), A-1974, B 2292, J10132, SR-01000075709, S07-0157, SR-01000075709-1, W-201741, OBG, null, Entecavir intermediates H, D0B5BG, C12H11N5O, 6-Benzyloxy-9H-purin-2-ylamine, CID4578, AR-1G9895, C12-H11-N5-O, ACN-047898, O-6-Benzylguanine, 98% - 25G 25g, A13706, A15459, C064976, 20381-03-7,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.096g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	241.254g/mol
Monoisotopic Mass	241.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

Lot Number