AG00CKFS

31383-66-1 | 1-[(2-Hydroxyethoxy)Methyl]adenine

AG00CKFS

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CAS Number	31383-66-1
Catalog Number	AG00CKFS(AGN-PC-0JRV2Z)
Chemical Name	1-[(2-Hydroxyethoxy)Methyl]adenine
IUPAC Name	2-[(6-imino-7H-purin-1-yl)methoxy]ethanol
InChI	InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-6)12-4-13(7)5-15-2-1-14/h3-4,9,14H,1-2,5H2,(H,10,11)
InChI Key	DXNZJXFSXYRBKH-UHFFFAOYSA-N
MDL Number	MFCD28134510
Molecular Formula	C8H11N5O2
Molecular Weight	209.2052
SMILES	NC1=C2N=CN=C2N=CN1COCCO
Synonyms	2-((6-Amino-1H-purin-1-yl)methoxy)ethanol, 31383-66-1, AK162281, AcycloA, EX-A1540, DS-7749, AX8294628, 2-[(6-AMINOPURIN-1-YL)METHOXY]ETHANOL, 1-[(2-Hydroxyethoxy)methyl]adenine, 2-[(6-amino-9h-purin-9-yl)methoxy]ethanol,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	209.209g/mol
Monoisotopic Mass	209.091g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	97.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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