AG00BCYP

25477-96-7 | Ethyl adenine-9-acetate

AG00BCYP

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CAS Number	25477-96-7
Catalog Number	AG00BCYP(AGN-PC-0JUYMC)
Chemical Name	Ethyl adenine-9-acetate
IUPAC Name	ethyl 2-(6-aminopurin-9-yl)acetate
InChI	InChI=1S/C9H11N5O2/c1-2-16-6(15)3-14-5-13-7-8(10)11-4-12-9(7)14/h4-5H,2-3H2,1H3,(H2,10,11,12)
InChI Key	MCOVDURKZQNFBE-UHFFFAOYSA-N
MDL Number	MFCD01321238
Molecular Formula	C9H11N5O2
Molecular Weight	221.2159
SMILES	NC1=NC=NC2=C1N=CN2CC(OCC)=O
Synonyms	ethyl adenine-9-acetate, ETHYL ADENINE-9-ACETATE, 25477-96-7, ethyl 2-(6-amino-9H-purin-9-yl)acetate, Adenine acetic acid ethyl ester, ethyl 2-(6-aminopurin-9-yl)acetate, ETHYLADENINE-9-ACETATE, Ethyl6-methylsalicylate, AC1LELSF, AC1Q34VA, Oprea1_342782, AC1Q34V9, SCHEMBL1565498, CTK4F5878, ZINC57061, DTXSID00350870, KS-00000G7T, ANW-49231, MFCD01321238, AKOS009156758, RP27320, 9-(ethyloxycarbonylmethyl)-6-aminopurine, AJ-09559, AK-32174, BR-32174, CJ-00435, EN002726, TS-00508, ZB001949, AB0023746, DB-011538, TC-020772, 4CH-007298, A5135, CS-0037933, FT-0763669, ST24030676, W4878, 6-Amino-9H-purine-9-acetic acid ethyl ester, S-4498, 9H-Purine-9-aceticacid, 6-amino-, ethyl ester, 9H-Purine-9-acetic acid, 6-amino-, ethyl ester, J-521241, I14-54486, C9H11N5O2, Ethyl 2-hydroxy-6-methylbenzoate, CID688302, ZINC00057061,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.091g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.22g/mol
Monoisotopic Mass	221.091g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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