Basic information
- CAS
13452-77-2- Standard SMILES
CNc1nc(N)nc(N)n1- InChIKey
CTRPRMNBTVRDFH-UHFFFAOYSA-N- Molecular formula
- C4H8N6
- Average molar mass
- 140.15 g/mol
- Monoisotopic mass
- 140.08104426
Names & identifiers
- Preferred name
- Melamine, methyl-
- IUPAC
- 2-N-methyl-1,3,5-triazine-2,4,6-triamine
- English name
- N4-methyl-1,3,5-triazine-2,4,6-triamine
- Molecular formula
- C4H8N6
- Molecular weight
- 140.15
Names & synonyms
MethylmelamineMELAMINE, METHYL-MonomethylmelamineN(sup 2)-MethylmelamineENT 50993BRN 0880007AI3-509931,3,5-Triazine-2,4,6-triamine, N-methyl-DTXSID00158777RefChem:351964DTXCID00812681,3,5-Triazine-2,4,6-triamine, N-methyl-(9CI)
Show more names
Metformin Impurity 212,4-diamino-6-methylamino-1,3,5-triazine1,3,5-Triazine-2,4,6-triamine, N2-methyl-
13452-77-22-N-methyl-1,3,5-triazine-2,4,6-triamineN2-methyl-1,3,5-triazine-2,4,6-triamineN4-methyl-1,3,5-triazine-2,4,6-triaminemethyl melamineSCHEMBL9910CHEMBL3544898SCHEMBL12200074
Database identifiers
- CAS
13452-77-2- PubChem CID
- 26029
- DTXSID
DTXSID00158777- ChEMBL
CHEMBL3544898- Nikkaji
- J1.174.857K
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.9
Physicochemical properties
- Melting point
- 259 · 259-260 °C (decomp)
- Boiling point
- 448.2 · 448.2±28.0 °C(Predicted)
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- pka
- 5.39 · 5.39±0.10(Predicted)
Chemistry & industry
Suppliers2 total
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Related reactions
3 records
Compound notes
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