1H-Benzotriazole-1-methanol

C₇H₇N₃OCAS 28539-02-8149.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇N₃O
Molar mass: 149.15 g/mol
Exact mass: 149.0589 Da
logP: 0.38Crippen estimate
Polar surface area: 50.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

28539-02-8

SMILES

C1=CC=C2C(=C1)N=NN2CO

InChIKey

MXJIHEXYGRXHGP-UHFFFAOYSA-N

InChI

InChI=1S/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H2

Weigh it out

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

Work with 1H-Benzotriazole-1-methanol

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

Benzotriazol-1-yl-acetic acid4144-64-356 % similar Hydroxybenzotriazole2592-95-253 % similar 1H-Benzotriazole-1-propanoic acid654-15-953 % similar 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-948 % similar 1-Hydroxybenzotriazole hydrate80029-43-248 % similar 1-Methylbenzotriazole13351-73-047 % similar 1-Aminobenzotriazole1614-12-647 % similar 1-(Trimethylsilyl)-1H-benzotriazole43183-36-443 % similar

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

Same formula

5-Amino-2-benzimidazolinone95-23-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook