m-Methoxytopolin - CAS 75737-39-2

Catalog:	BB053614
Product Name:	m-Methoxytopolin
CAS:	75737-39-2
Synonyms:	N-(3-Methoxybenzyl)adenine

Technical Data

Computed Properties

IUPAC Name:	N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
Molecular Weight:	255.28
Molecular Formula:	C13H13N5O
Canonical SMILES:	COC1=CC=CC(=C1)CNC2=NC=NC3=C2NC=N3
InChI:	InChI=1S/C13H13N5O/c1-19-10-4-2-3-9(5-10)6-14-12-11-13(16-7-15-11)18-8-17-12/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18)
InChI Key:	JLFVTVWYTKYYPS-UHFFFAOYSA-N
Melting Point:	272-273 °C
Purity:	98%
Density:	1.37±0.1 g/cm3
Appearance:	White to Yellow Solid

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Related Functional Groups

Amines and Anilines

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[17583-40-3]
2-(Methylamino)benzonitrile
[856848-33-4]
2-Amino-4,5-dibromopyridine
[1597-32-6]
2-Amino-6-fluoropyridine
[1239647-61-0]
2-Amino-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Purines

[132628-16-1]
N2-Phenylacetylguanosine
[1214-39-7]
N6-Benzyladenine
[148238-36-2]
9-(prop-2-yn-1-yl)-9H-purin-6-amine
[1378263-50-3]
8-Ethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione
[1681-15-8]
2-Chloro-9H-purine
[700-49-2]
2-Fluoroadenine

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.11201006
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	255.11201006
Rotatable Bond Count:	4
Topological Polar Surface Area:	75.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9