5-Amino-2,3-dihydro-1H-inden-1-one

C₉H₉NOCAS 3470-54-0147.18 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₉H₉NO
Molar mass: 147.18 g/mol
Exact mass: 147.0684 Da
logP: 1.40Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.4% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

3470-54-0

SMILES

C1CC(=O)C2=C1C=C(C=C2)N

InChIKey

HODOSJNSRPXYBH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4,10H2

Weigh it out

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

Names and synonyms

1 names

5-Aminoindan-1-one

Work with 5-Amino-2,3-dihydro-1H-inden-1-one

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

6-Amino-1,2,3,4-tetrahydronaphthalen-1-one3470-53-981 % similar 5-Bromo-1-indanone34598-49-759 % similar 5-Hydroxy-1-indanone3470-49-359 % similar 5-Chloro-1-indanone42348-86-759 % similar 5-Methyl-1-indanone4593-38-859 % similar 5-Iodo-1-indanone511533-38-359 % similar 5-Fluoro-1-indanone700-84-559 % similar 5-Methoxy-1-indanone5111-70-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook