5-Aminotetrazole monohydrate

CH₅N₅OCAS 15454-54-3103.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CH₅N₅O
Molar mass: 103.08 g/mol
Exact mass: 103.0494 Da
Melting point: 203–204 °C
logP: -2.21Crippen estimate
Polar surface area: 112.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed54.2% of notifiers
H315 Causes skin irritation59.7% of notifiers
H318 Causes serious eye damage40.3% of notifiers
H319 Causes serious eye irritation59.7% of notifiers
H335 May cause respiratory irritation59.7% of notifiers
H412 Harmful to aquatic life with long lasting effects40.3% of notifiers

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15454-54-3

SMILES

N=c1nn[nH][nH]1.O

InChIKey

JVSMPWHQUPKRNV-UHFFFAOYSA-N

InChI

InChI=1S/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2H-Tetrazol-5-amine, hydrate (1:1)
1H-Tetrazole, 5-amino-, monohydrate
1H-Tetrazol-5-amine, monohydrate
1H-1,2,3,4-Tetrazol-5-amine hydrate

Work with 5-Aminotetrazole monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Aminotetrazole4418-61-5Anhydrous

Elsewhere

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