chempirical

1-Hydroxybenzotriazole hydrate

C6H7N3O2CAS 80029-43-2153.14 g/mol

Open in Covalent MOL file
H2OHONNN

Properties

Molecular formula
C6H7N3O2
Molar mass
153.14 g/mol
Exact mass
153.0538 Da
logP
-0.16Crippen estimate
Polar surface area
82.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
80029-43-2
SMILES
O.On1nnc2ccccc21
InChIKey
PJUPKRYGDFTMTM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2

Weigh it out

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

Names and synonyms

5 names
  • 1H-Benzotriazole, 1-hydroxy-, hydrate (1:1)
  • 1H-Benzotriazole, 1-hydroxy-, monohydrate
  • 1-Hydroxybenzotriazole monohydrate
  • 1H-Benzo[d][1,2,3]triazol-1-ol hydrate
  • 1-Hydroxy-1H-benzotriazole monohydrate

Work with 1-Hydroxybenzotriazole hydrate

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

Similar compounds

Hydroxybenzotriazole2592-95-288 % similar 1-Methylbenzotriazole13351-73-048 % similar 1-Aminobenzotriazole1614-12-648 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-247 % similar 1-Hydroxy-7-azabenzotriazole39968-33-745 % similar 1H-Benzotriazole-1-propanoic acid654-15-939 % similar 1-Methylbenzimidazole1632-83-335 % similar Bop reagent56602-33-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-Nitrophenyl)hydrazine100-16-3 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-9 6-Hydrazinonicotinic acid133081-24-0 5-Aminopyrazine-2-carboxylic acid methyl ester13924-94-2 N4-Acetylcytosine14631-20-0 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-6 6-Methyl-5-nitro-2-pyridinamine22280-62-2 (2-Nitrophenyl)hydrazine3034-19-3

Elsewhere

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