1H-Tetrazole-1,5-diamine
Basic information
- CAS
2165-21-1- Standard SMILES
Nc1nnnn1N- InChIKey
XMGWNAIPGOPSNX-UHFFFAOYSA-N- Molecular formula
- CH4N6
- Average molar mass
- 100.08 g/mol
- Monoisotopic mass
- 100.04974415
Overview
1,5-diaminotetrazole is a member of the class of tetrazoles that is 1H-tetrazole substituted by amino groups at positions 1 and 5 respectively. It has a role as a metabolite. It is an aromatic amine and a member of tetrazoles. It derives from a hydride of a 1H-tetrazole.
Names & identifiers
- Preferred name
- 1H-Tetrazole-1,5-diamine
- IUPAC
- tetrazole-1,5-diamine
- English name
- 1H-Tetrazole-1,5-diamine
- Molecular formula
- CH4N6
- Molecular weight
- 100.08
Names & synonyms
1H-Tetrazole-1,5-diamine2165-21-1DTXSID80308652RefChem:1058568DTXCID00259778tetrazole-1,5-diamine1,5-diaminotetrazole1H-1,2,3,4-tetrazole-1,5-diamine1,5-Diaminotetrazol1H-Tetraazole-1,5-diamine #1,2,3,4-tetraazole-1,5-diamineMFCD00205269
Show more names
AKOS B007034TIMTEC-BB SBB000033ART-CHEM-BB B007034ASINEX-REAG BAS 10309683(5-aminotetrazol-1-yl)amine1,2,3,4-tetrazole-1,5-diamine
NSC 206228CH4N6NSC206228SCHEMBL507708CHEBI:87539ALBB-024867SBB000033STK346878
Database identifiers
- CAS
2165-21-1- PubChem CID
- 307904
- DTXSID
DTXSID80308652- ChEBI
CHEBI:87539- Nikkaji
- J1.492.165F
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.2
Physicochemical properties
- Melting point
- 185 · 185-186 °C(Solv: water (7732-18-5))
- Boiling point
- 399.7 · 399.7±25.0 °C(Predicted)
- Density
- 2.62 · 2.62±0.1 g/cm3(Predicted)
- pka
- 2 · 2+-.0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
CSL Reaction Information
CSL00201
1,5-Diamino-1H-tetrazole + Carbonimidic dihydrazide, hydrochloride + 5-Azido-2H-tetrazole + Nitrous acid + Ethanol
"We recently had an unanticipated explosion resulting in the injury of two chemists. The workers were repeating a recently published preparation of 1,5-diamino-1H-tetrazole by the aqueous diazotization of diaminoguanidine hydrochloride using a single equivalent of nitrous acid (Inorg. Chem. 2005, 44, 4237). After neutralization (pH 8) and evaporation, the desired product is extracted from the inorganic salts with hot ethanol. The ethanol is then evaporated and the resulting solid recrystallized from water. The preparation states that the product is pure after the ethanol extraction. Unfortunately, we have found that the ethanol extracts not only the desired product but also a very sensitive side product, 5-azidotetrazole. This side product is produced by either double diazotization of diaminoguanidine or possibly by diazotization of the desired product through the intermediate 1H-tetrazolo[1,5-d]tetrazole. If this procedure is repeated, it is imperative that the ethanol extract not be taken to dryness." (reprint of full text)
Explosive
Not Available
10.1021/cen-v083n030.p005
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Additional notes
DefinitionChEBI: 1,5-diaminotetrazole is a member of the class of tetrazoles that is 1H-tetrazole substituted by amino groups at positions 1 and 5 respectively. It has a role as a metabolite. It is a member of tetrazoles and an aromatic amine. It derives from a hydride of a 1H-tetrazole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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