chempirical

4-Aminoindole

C8H8N2CAS 5192-23-4132.17 g/mol

Open in Covalent MOL file
NHH2N
Primary amine

Properties

Molecular formula
C8H8N2
Molar mass
132.17 g/mol
Exact mass
132.0687 Da
logP
1.75Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5192-23-4
SMILES
C1=CC(=C2C=CNC2=C1)N
InChIKey
LUNUNJFSHKSXGQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2

Weigh it out

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

Work with 4-Aminoindole

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

4-Chloroindole25235-85-254 % similar 4-Bromoindole52488-36-554 % similar 4-Methylindole16096-32-552 % similar 1H-Indol-4-ol2380-94-152 % similar 4-Fluoroindole387-43-952 % similar (1H-Indol-4-yl)methanamine3468-18-652 % similar 4-Methoxy-1H-indole4837-90-552 % similar 1,5-Diaminonaphthalene2243-62-150 % similar

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

Same formula

4-Cyanobenzylamine10406-25-4 1-Methylbenzimidazole1632-83-3 5-Methyl-1H-indazole1776-37-0 2-Methyl-7-azaindole23612-48-8 2-Amino-4-methylbenzonitrile26830-96-6 2-Aminobenzeneacetonitrile2973-50-4 2-(Phenylamino)acetonitrile3009-97-0 3-Methyl-1H-indazole3176-62-3

Elsewhere

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