2-Amino-4,6-dimethoxy-1,3,5-triazine
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Basic information
- CAS
16370-63-1- Standard SMILES
COc1nc(N)nc(OC)n1- InChIKey
KVHFZZUPCXCRIX-UHFFFAOYSA-N- Molecular formula
- C5H8N4O2
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.0647255
Overview
See also: 4,6-Dimethoxy-(1,3,5)triazin-2-ylamine (annotation moved to).
Names & identifiers
- Preferred name
- 2-Amino-4,6-dimethoxy-1,3,5-triazine
- IUPAC
- 4,6-dimethoxy-1,3,5-triazin-2-amine
- English name
- 2-Amino-4,6-dimethoxy-1,3,5-triazine
- Molecular formula
- C5H8N4O2
- Molecular weight
- 156.14
Names & synonyms
2-amino-4,6-dimethoxy-1,3,5-triazineDTXSID10274836RefChem:1062173DTXCID3022629116370-63-14,6-dimethoxy-1,3,5-triazin-2-aminedimethoxy-1,3,5-triazin-2-amine1,3,5-Triazin-2-amine, 4,6-dimethoxy-MFCD000527652-Amino-46-dimethoxy-135-triazineNSC1002844,6-dimethoxy-1,3,5-triazine-2-amine
Show more names
1,3,5-TRIAZIN-2-AMINE,4,6-DIMETHOXY2-Amino-4,6-dimethoxy-1,3,5-triazine98%2-Amino-4,6-dimethoxy-1,3,5-triazine 98%
Maybridge1_006177SCHEMBL1576395SCHEMBL2876930HMS559A17KVHFZZUPCXCRIX-UHFFFAOYSA-NCCG-42729SBB052030AKOS009157827
Database identifiers
- CAS
16370-63-1- PubChem CID
- 27840
- DTXSID
DTXSID10274836- Nikkaji
- J1.186.436H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 220 · 220-222
- Boiling point
- 338.8 · 338.8±25.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.76 · 3.76±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C5H8N4O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9)
- InChIKey
- KVHFZZUPCXCRIX-UHFFFAOYSA-N
- SMILES
- N1=C(OC)N=C(OC)N=C1N
- CAS DataBase Reference
- 16370 · 16370-63-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933698090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-4,6-dimethoxy-1,3,5-triazine is used as an intermediate of the sulfonylurea herbicide ethersulfuron.
Upstream & downstream products
Upstream raw materials
Related reactions
87 records
Compound notes
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