(1S,2S)-1-Amino-2-indanol

C₉H₁₁NOCAS 163061-74-3149.19 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₉H₁₁NO
Molar mass: 149.19 g/mol
Exact mass: 149.0841 Da
Melting point: 144–145 °C
logP: 0.60Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: S, Sin SMILES atom order

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 41 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

163061-74-3

SMILES

N[C@H]1c2ccccc2C[C@@H]1O

InChIKey

LOPKSXMQWBYUOI-IUCAKERBSA-N

InChI

InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9-/m0/s1

Weigh it out

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

Names and synonyms

8 names

1H-Inden-2-ol, 1-amino-2,3-dihydro-, (1S,2S)-
1H-Inden-2-ol, 1-amino-2,3-dihydro-, (1S-trans)-
(1S,2S)-1-Amino-2,3-dihydro-1H-inden-2-ol
trans-(1S,2S)-1-Amino-2-indanol
(S,S)-1-Amino-2-hydroxyindane
(1S,2S)-(+)-1-Amino-2-indanol
(+)-trans-1-Amino-2-indanol
(1S,2S)-1-Amino-2,3-dihydro-1-inden-2-ol

Work with (1S,2S)-1-Amino-2-indanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-2Enantiomer (1S,2R)-(-)-1-Amino-2-indanol126456-43-7Diastereomer (+)-cis-1-Amino-2-indanol136030-00-7Diastereomer cis-1-Amino-2-indanol7480-35-5Diastereomer

Similar compounds

2-Aminoindane2975-41-945 % similar 2-Bromo-1-indanol5400-80-643 % similar (R)-(-)-1-Aminoindan10277-74-442 % similar (+-)-1-Aminoindan34698-41-442 % similar (S)-(+)-1-Aminoindan61341-86-442 % similar Dibenzosuberol1210-34-041 % similar 2-Aminoindan hydrochloride2338-18-341 % similar 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-540 % similar

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

Same formula

para-Dimethylaminobenzaldehyde100-10-7 4-Methylacetanilide103-89-9 1-(3-Aminophenyl)-1-propanone1197-05-3 N-(2-Methylphenyl)acetamide120-66-1 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-3

Elsewhere

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