N,N-Dimethylmelamine
Basic information
- CAS
1985-46-2- Standard SMILES
CN(C)c1nc(N)nc(N)n1- InChIKey
IEFWDQQGFDLKFK-UHFFFAOYSA-N- Molecular formula
- C5H10N6
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.09669434
Names & identifiers
- Preferred name
- N,N-Dimethylmelamine
- IUPAC
- 2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
- English name
- 2,4-Diamino-6-dimethylamino-1,3,5-triazine
- Molecular formula
- C5H10N6
- Molecular weight
- 154.17
Names & synonyms
1985-46-2n,n-dimethylmelamine2,4-Diamino-6-dimethylamino-1,3,5-triazineN2,N2-DIMETHYLMELAMINE1,3,5-Triazine-2,4,6-triamine, N2,N2-dimethyl-Melamine, N2,N2-dimethyl-N,N-Dimethyl-1,3,5-triazine-2,4,6-triamineENT 22312UNII-YUH4KNI8GQYUH4KNI8GQMelamine, n(sup2), n(sup2)-dimethyl-NSC 4417
Show more names
Metformin EP Impurity CMetformin USP ImpurityImpurity C of MetforminMetformin USP Impurity CDiaminodimethylaminotrazineMetforMin Related CoMpound C
BRN 00078431,3,5-Triazine-2,4,6-triamine, N,N-dimethyl-Melamine, N(sup 2),N(sup 2)-dimethyl-AI3-22312NSC-44174-26-00-01256 (Beilstein Handbook Reference)DTXSID50173596ENT-22312
Database identifiers
- CAS
1985-46-2- PubChem CID
- 16134
- DTXSID
DTXSID50173596- ChEMBL
CHEMBL3544874- UNII
- YUH4KNI8GQ
- EC Number
- 641-636-4
- Nikkaji
- J41.642H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 306 · 306-307℃ (ethanol )
- Boiling point
- 414.8 · 414.8±28.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Very Slightly, Heated)
- form
- Solid
- pka
- 5.84 · 5.84±0.10(Predicted)
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C5H10N6/c1-11(2)5-9-3(6)8-4(7)10-5/h1-2H3,(H4,6,7,8,9,10)
- InChIKey
- IEFWDQQGFDLKFK-UHFFFAOYSA-N
- SMILES
- N(C)(C)c1nc(nc(n1)N)N
- FDA UNII
- 4 KNI8GQ · YUH4KNI8GQ
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (95.1%)
Safety data
- wgk
- 3
- rtecs
- OS0875000
- hs_code
- 2933690000
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280-P302+P352
Chemistry & industry
Applications
UsesN-Demethylated (Metformin EP Impurity C) metabolite of Altretamine (A575765) with antitumor activity. It is used as a chemosterilant for insects, particularly houseflies.
UsesN-Demethylated metabolite of Altretamine (A575765) with antitumor activity. 2,4-Diamino-6-dimethylamino-1,3,5-triazine is used as a chemosterilant for insects, particularly houseflies.
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Compound notes
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