Basic information
- CAS
30805-07-3- Standard SMILES
COc1nc(N=[N+]=[N-])nc(OC)n1- InChIKey
SMNHXCCXAHLVEI-UHFFFAOYSA-N- Molecular formula
- C5H6N6O2
- Average molar mass
- 182.14 g/mol
- Monoisotopic mass
- 182.05522346
Names & identifiers
- Preferred name
- 2-Azido-4,6-dimethoxy-1,3,5-triazine
- IUPAC
- 2-azido-4,6-dimethoxy-1,3,5-triazine
Names & synonyms
2-azido-4,6-dimethoxy-1,3,5-triazine30805-07-3DTXSID10275308RefChem:256230DTXCID70226755MFCD00714966SCHEMBL25756970FBA80507AKOS019149822EN300-279668
Database identifiers
- CAS
30805-07-3- PubChem CID
- 35499
- DTXSID
DTXSID10275308- EC Number
- 995-871-5
- Nikkaji
- J1.614.896B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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