M-Topolin

CAT: 0926-FT10526-04Size: 5000 mgDry Ice: NoHazardous: No

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CAT#:0926-FT10526-04Size:5000 mg

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CAS Number

75737-38-1

Synonyms

6- (3-Hydroxybenzylamino) purine

MDL Number

MFCD03065993

Smiles

C1=CC (=CC (=C1) O) CNC2=NC=NC3=C2NC=N3

Molecular Formula

C12H11N5O

Molecular Weight

241.25 g/mol

Controlled

Chemical Information

meta-Topolin

CAS Number	75737-38-1
PubChem CID	11557770
IUPAC Name	3-[(7H-purin-6-ylamino)methyl]phenol
Molecular Formula	C12H11N5O
Molecular Weight	241.25
XLogP	1.6
Topological Polar Surface Area	86.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	277

SMILES

C1=CC(=CC(=C1)O)CNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)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)

InChIKey

BUDWTFCZGZYQHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75737-38-1

CID: 11557770

Formula: C12H11N5O

MW: 241.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.25
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	241.09635999
Monoisotopic Mass	241.09635999
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FT30290-01	P-Topolin
FT30286-01	O-Topolin
NT30291-01	P-Topolin riboside
NT30288-01	O-Topolin riboside
MT30292-01	P-Topolin-9-glucoside
MT30287-01	O-Topolin-9-glucoside
NT30293-01	P-Topolin riboside-5'-monophosphate sodium salt
NT30289-01	O-Topolin riboside-5'-monophosphate sodium salt
BAA16618	M, M-Quaterphenyl
RTH-9900-01	Polystyrene M NH2 (5 μm)

Catalog	Name
289781-01	M-Topolin
295018-01	M-Topolin-9-glucoside
296515	M-Topolin riboside-5'-monophosphate salt
BUP13958-01	Meta-Topolin
TRC-T540280-25MG	ortho-Topolin
296514-01	M-Topolin riboside discontinued. See 454424
462036-01	Para-Topolin
290564-01	O-Topolin
4214-01	META- TOPOLIN
290565-01	P-Topolin