Rasagiline

C12H13NCAS 136236-51-6171.24 g/mol

Open in Covalent MOL file
HN
AlkyneSecondary amine

Properties

Molecular formula
C12H13N
Molar mass
171.24 g/mol
Exact mass
171.1048 Da
Melting point
148 °C
logP
1.90Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
136236-51-6
SMILES
C#CCN[C@@H]1CCc2ccccc21
InChIKey
RUOKEQAAGRXIBM-GFCCVEGCSA-N
InChI
InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1

Weigh it out

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

Names and synonyms

12 names
  • 1H-Inden-1-amine, 2,3-dihydro-N-2-propyn-1-yl-, (1R)-
  • 1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (R)-
  • 1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (1R)-
  • (1R)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
  • (R)-N-2-Propynyl-1-indanamine
  • (R)-(+)-Rasagiline
  • Azilect
  • R-(+)-N-Propargyl-1-aminoindan
  • (1R)-N-Prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
  • (R)-N-(2-Propynyl)-2,3-dihydroinden-1-amine
  • (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine
  • (R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine

Work with Rasagiline

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.

Rasagiline mesylate161735-79-1Salt

Similar compounds

1-Indanol6351-10-642 % similar (R)-(-)-1-Aminoindan10277-74-441 % similar (+-)-1-Aminoindan34698-41-441 % similar (S)-(+)-1-Aminoindan61341-86-441 % similar 5-Chlorodibenzosuberane1210-33-939 % similar 1-Chloro-1,2,3,4-tetrahydronaphthalene113110-47-738 % similar 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-538 % similar (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol23357-45-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-1-(1-Naphthyl)ethylamine10420-89-0 N-Ethyl-1-naphthalenamine118-44-5 6-Isopropylquinoline135-79-5 N-Methyl-1-naphthalenemethanamine14489-75-9 N,N-Dimethyl-2-naphthalenamine2436-85-3 (-)-1-(2-Naphthyl)ethylamine3082-62-0 (+)-1-(1-Naphthyl)ethylamine3886-70-2 1-(1-Naphthyl)ethylamine42882-31-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook