CAS 61341-86-4|(1S)-2,3-dihydro-1H-inden-1-amine|(1S)-2,3-dihydro-1H-inden-1-amine|(S)-(+)-1-Aminoindane|(1S)-(+)-1-Aminoindane|(1S)-2,3-Dihydro-1H-inden-1-amine|(S)-(+)-1-氨基茚满|(S)-(+)-1-Indanam...

General Information

Structure

Molecular Formula

C₉H₁₁N

Molecular Mass

133.19034

Exact Mass

133.08914936

Charge

InChI

InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1

InChIKey

XJEVHMGJSYVQBQ-VIFPVBQESA-N

Canonic Smiles

N[C@H]1CCc2c1cccc2

Isomeric Smiles

[C@@H]1(CCc2ccccc12)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3644532

LogD (pH = 7.4)

-0.62883526

Log P

1.6432385

Molar Refractivity

42.1122

Polarizability

16.613792

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(1S)-2,3-dihydro-1H-inden-1-amine

IUPAC name

(1S)-2,3-dihydro-1H-inden-1-amine

Synonyms

(S)-(+)-1-Aminoindane(1S)-(+)-1-Aminoindane(1S)-2,3-Dihydro-1H-inden-1-amine(S)-(+)-1-氨基茚满(S)-(+)-1-Indanamine(S)-(+)-1-茚胺(S)-(+)-1-Aminoindan(S)-(+)-1-Aminoindane(S)-(+)-1-胺基茚满(1S)-2,3-dihydro-1H-inden-1-amine(S)-2,3-Dihydro-1H-inden-1-amine

Names and Identifiers

Registration numbers

PubChem SID

1620349892484603524868175

PubChem CID

Beilstein Number

CAS Number

MDL Number