3-Amino-1,2-benzisoxazole

C₇H₆N₂OCAS 36216-80-5134.14 g/mol

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Primary amine

Properties

Molecular formula: C₇H₆N₂O
Molar mass: 134.14 g/mol
Exact mass: 134.0480 Da
logP: 1.41Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

36216-80-5

SMILES

C1=CC=C2C(=C1)C(=NO2)N

InChIKey

NLMVYUBGWZWUGB-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)

Weigh it out

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

Names and synonyms

1 names

1,2-Benzoxazol-3-amine

Work with 3-Amino-1,2-benzisoxazole

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

3-Chloro-1,2-benzoxazole16263-52-852 % similar 1,2-Benzisoxazol-3(2H)-one21725-69-952 % similar 3-Bromomethylbenzisoxazole37924-85-948 % similar Zonisamide68291-97-443 % similar 1,2-Benzisoxazole-3-acetic acid4865-84-339 % similar Dibenzofuran132-64-938 % similar 2-(Benzo[d]isoxazol-3-yl)-2-bromoacetic acid37924-67-738 % similar 3-(4-Piperidinyl)-1,2-benzisoxazole hydrochloride84163-22-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-5 1H-Indazol-5-ol15579-15-4 2-Methoxy-5-pyridinecarbonitrile15871-85-9 1,3-Benzoxazol-6-amine177492-52-3 5-Hydroxy-3-methylpyridine-2-carbonitrile228867-86-5 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one32501-05-6 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-4

Elsewhere

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