Basic information
- CAS
1743-13-1- Standard SMILES
C1NNCN2CNNCN12- InChIKey
RRIGVQQUVAETIG-UHFFFAOYSA-N- Molecular formula
- C4H12N6
- Average molar mass
- 144.18 g/mol
- Monoisotopic mass
- 144.11234441
Overview
structure given in first source
Names & identifiers
- Preferred name
- Octahydro(1,2,4,5)tetrazino(1,2-a)(1,2,4,5)tetrazine
- IUPAC
- 1,2,3,4,6,7,8,9-octahydro-[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine
- English name
- octahydro[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine
- Molecular formula
- C4H12N6
- Molecular weight
- 144.18
Names & synonyms
Tetraformaltrisazine1743-13-1Octahydro[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazineKY3ZMG8TJ6Octahydro-s-tetrazino(1,2-a)-s-tetrazines-Tetrazino(1,2-a)-s-tetrazine, octahydro-Octahydro(1,2,4,5)tetrazino(1,2-a)(1,2,4,5)tetrazineNSC-55937(1,2,4,5)Tetrazino(1,2-a)(1,2,4,5)tetrazine, octahydro-DTXSID90169812[1,2,4,5]Tetrazino[1,2-a][1,2,4,5]tetrazine, octahydro-Tetraformyltrisazine
Show more names
Octahydro-s-tetrazino[1,2-a]-s-tetrazineRefChem:188593DTXCID7092303217-112-21,2,3,4,6,7,8,9-octahydro-[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazineOCTAHYDRO-[1,2,4,5]TETRAZINO[1,2-A][1,2,4,5]TETRAZINENSC55937EINECS 217-112-2
Database identifiers
- CAS
1743-13-1- PubChem CID
- 74451
- DTXSID
DTXSID90169812- UNII
- KY3ZMG8TJ6
- EC Number
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.3
Physicochemical properties
- FDA UNII
- 3 ZMG8TJ6 · KY3ZMG8TJ6
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 397 mg/kg STGNBT-,208,1999
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
- Toxicity
- LD50 orl-rat: 397 mg/kg STGNBT-,208,1999
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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