2,2,4,6-Tetramethylmelamine
Basic information
- CAS
16268-54-5- Standard SMILES
CNc1nc(NC)nc(N(C)C)n1- InChIKey
SXPIROLPYODZEU-UHFFFAOYSA-N- Molecular formula
- C7H14N6
- Average molar mass
- 182.23 g/mol
- Monoisotopic mass
- 182.12799447
Overview
metabolite of pentamethyl- & hexamethylmelamine; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2,2,4,6-Tetramethylmelamine
- IUPAC
- 2-N,2-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
- English name
- N(2),N(2),N(4),N(6)-tetramethylmelamine
- Molecular formula
- C7H14N6
- Molecular weight
- 182.23
Names & synonyms
N(2),N(2),N(4),N(6)-Tetramethylmelamine16268-54-52,2,4,6-TetramethylmelamineDTXSID80167423RefChem:1606392,2,4,6-tetra-MMDTXCID70899142-N,2-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamineENT 512432,4-Bis(methylamino)-6-dimethylamino-s-triazineBRN 0645085AI3-51243
Show more names
ENT-512432-Dimethylamino-4,6-bis(methylamino)-1,3,5-triazineN,N,N',N''-Tetramethyl-1,3,5-triazine-2,4,6-triamine1,3,5-Triazine-2,4,6-triamine, N2,N4,N6,N6-tetramethyl-
n2,n2,n4,n6-tetramethylmelamines-Triazine, 2,4-bis(methylamino)-6-dimethylamino-1,3,5-Triazine-2,4,6-triamine, N,N,N',N''-tetramethyl-N(sup 2),N(sup 2),N(sup 4),N(sup 6)-TetramethylmelamineALTRETAMINE_met002SCHEMBL1033226CHEMBL3544872MELAMINE, N(sup 2),N(sup 2),N(sup 4),N(sup 6)-TETRAMETHYL-
Database identifiers
- CAS
16268-54-5- PubChem CID
- 27774
- DTXSID
DTXSID80167423- ChEMBL
CHEMBL3544872- Nikkaji
- J14.482G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Collision Cross Section136.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 339.7 · 339.7±25.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 6.57 · 6.57±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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