AG00292G

20366-83-0 | Phenol, 2-[(9H-purin-6-ylamino)methyl]-

AG00292G

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CAS Number	20366-83-0
Catalog Number	AG00292G(AGN-PC-0O7BKC)
Chemical Name	Phenol, 2-[(9H-purin-6-ylamino)methyl]-
IUPAC Name	2-[(7H-purin-6-ylamino)methyl]phenol
InChI	InChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
InChI Key	AKOVXPNRITVXAR-UHFFFAOYSA-N
MDL Number	MFCD18641954
Molecular Formula	C12H11N5O
Molecular Weight	241.2486
SMILES	OC1=CC=CC=C1CNC2=C3N=CNC3=NC=N2
Synonyms	Phenol, 2-[(1H-purin-6-ylamino)methyl]-, 20366-83-0, 6-(2-hydroxybenzylamino)purine, SCHEMBL786293, CTK0J0526, DTXSID30468210, Phenol, 2-[(9H-purin-6-ylamino)methyl]-, o-topolin, 2-[(7H-purin-6-ylamino)methyl]phenol, CID11536042,

Complexity	277
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	3
Isotope Atom Count	0
Molecular Weight	241.254g/mol
Monoisotopic Mass	241.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H332
Packing Group	\N
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P312-P322-P330-P363-P501
UN Code	\N

Certificate of Analysis

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