N-(1H-Tetrazol-5-yl)-1H-tetrazol-5-amine
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Basic information
- CAS
127661-01-2- Standard SMILES
n1nc(Nc2nn[nH]n2)n[nH]1- InChIKey
RVXHYSAOMMVOCQ-UHFFFAOYSA-N- Molecular formula
- C2H3N9
- Average molar mass
- 153.11 g/mol
- Monoisotopic mass
- 153.05114113
Names & identifiers
- Preferred name
- N-(1H-Tetrazol-5-yl)-1H-tetrazol-5-amine
- IUPAC
- N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
- English name
- N,N-Bis[1(2)H-tetrazol-5-yl]amine
- Molecular formula
- C2H3N9
- Molecular weight
- 153.11
Names & synonyms
127661-01-2DTXSID30398220N-(1H-Tetrazol-5-yl)-1H-tetrazol-5-amineRefChem:360002DTXCID70349079N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine2H-Tetrazol-5-amine, N-2H-tetrazol-5-yl-BIS(1H-TETRAZOL-5-YL)-AMINEN,N-Bis[1(2)H-tetrazol-5-yl]aminebis(5-tetrazolyl)amine1H-Tetrazol-5-amine, N-1H-tetrazol-5-yl-bis(tetrazolyl)amine
Show more names
Bis-5-aminotetrazoliumBis(tetrazol-5-yl)aminedi(1H-tetrazol-5-yl)amineDouble 5-amino tetrazoliumBis[1(2)H-tetrazol-5-yl]amineN-1H-Tetrazol-5-yl-1H-tetrazolyl-5-amine
SCHEMBL1239469SCHEMBL2760480NSC282043AKOS016034013NSC-282043
Database identifiers
- CAS
127661-01-2- PubChem CID
- 3955936
- DTXSID
DTXSID30398220- Nikkaji
- J2.257.572D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 220 °C · >220 °C (decomp)(Solv: water (7732-18-5))
- Boiling point
- 531.2 · 531.2±33.0 °C(Predicted)
- Density
- 2.142 · 2.142
- pka
- 2.32 · 2.32±0.10(Predicted)
Chemistry & industry
Applications
UsesBis-5-aminotetrazole is a white crystalline powder that can be used in pharmaceutical synthesis and is also an important intermediate.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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