1-Methyladenine

CAT: 0063-90025004-100mgSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0063-90025004-100mgSize:100 mg

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CAS Number

5142-22-3

Molecular Formula

C6H7N5

Molecular Weight

149.15

Formulation

C6H7N5

Chemical Information

1-Methyladenine

1-methyladenine is adenine substituted with a methyl group at position N-1. It has a role as a metabolite.

CAS Number	5142-22-3
PubChem CID	135398646
IUPAC Name	1-methyl-7H-purin-6-imine
Molecular Formula	C6H7N5
Molecular Weight	149.15
XLogP	-0.2
Topological Polar Surface Area	68.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	211

SMILES

CN1C=NC2=C(C1=N)NC=N2

InChI

InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)

InChIKey

SATCOUWSAZBIJO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5142-22-3

CID: 135398646

Formula: C6H7N5

MW: 149.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.15
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	149.07014524
Monoisotopic Mass	149.07014524
Topological Polar Surface Area	68.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	211
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

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