2-Amino-5-methoxybenzonitrile

C₈H₈N₂OCAS 23842-82-2148.16 g/mol

Open in Covalent MOL file

Ether Nitrile Primary amine

Properties

Molecular formula: C₈H₈N₂O
Molar mass: 148.16 g/mol
Exact mass: 148.0637 Da
logP: 1.15Crippen estimate
Polar surface area: 59.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

23842-82-2

SMILES

COC1=CC(=C(C=C1)N)C#N

InChIKey

SRWMPAZUWXLIPG-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,10H2,1H3

Weigh it out

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

Work with 2-Amino-5-methoxybenzonitrile

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

2,5-Dimethoxybenzonitrile5312-97-066 % similar 2-Fluoro-5-methoxybenzonitrile127667-01-062 % similar 2-Bromo-5-methoxybenzonitrile138642-47-462 % similar 2,4-Dimethoxybenzonitrile4107-65-761 % similar 2-Amino-4,5-dimethoxybenzonitrile26961-27-358 % similar 2-Amino-5-methylbenzonitrile5925-93-958 % similar 2-Fluoro-4-methoxybenzonitrile94610-82-957 % similar 4-Methoxy-1,2-phenylenediamine102-51-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 7-Methoxy-6-azaindole160590-40-9 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-8 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 4-Methoxy-1H-indazole351210-06-5

Elsewhere

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