3-methyl-7H-purin-3-ium-6-amine
Basic information
- CAS
11035-03-3- Standard SMILES
C[n+]1cnc(N)c2[nH]cnc21- InChIKey
YLIQVEPMZVVUEK-UHFFFAOYSA-O- Molecular formula
- C6H8N5+
- Average molar mass
- 150.16 g/mol
- Monoisotopic mass
- 150.07797028
Names & identifiers
- Preferred name
- 3-methyl-7H-purin-3-ium-6-amine
- IUPAC
- 3-methyl-7H-purin-3-ium-6-amine
- English name
- Rumalon
- Molecular formula
- C6H8N5+
- Molecular weight
- 150.16122
Names & synonyms
11035-03-33-methyl-7H-purin-3-ium-6-amineRumalon3mag2x6f3-methyl-9H-purin-6-amine6-amino-3-methyl-9H-purin-3-iumNSC806871NSC-806871Q27453925
Database identifiers
- CAS
11035-03-3- PubChem CID
- 447782
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 150
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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