[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine hydrochloride

• ChemBase ID: 153122
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: C[C@H](Cc1ccccc1)NCC#C.Cl
• Canonical SMILES: C[C@H](Cc1ccccc1)NCC#C.Cl
• InChI: InChI=1S/C12H15N.ClH/c1-3-9-13-11(2)10-12-7-5-4-6-8-12;/h1,4-8,11,13H,9-10H2,2H3;1H/t11-;/m1./s1
• InChIKey: KJZZTCSJZCYCQS-RFVHGSKJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine hydrochloride
• IUPAC Traditional name: norselegiline hydrochloride
• Synonyms: L-Nordeprenyl hydrochloride; R-(-)-Desmethyldeprenyl hydrochloride

Database IDs

• CAS Number: 115586-38-4
• MDL Number: MFCD00272656
• PubChem SID: 162247262; 24278383
• PubChem CID: 9855833

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.60767007
• LogD (pH = 7.4): 0.8039187
• Log P: 2.4649138
• Molar Refractivity: 56.06 cm^3
• Polarizability: 21.794731 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble >20 mg/mL
• Apperance: off-white solid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: >98% (HPLC)
• Empirical Formula (Hill Notation): C12H15N · HCl

DETAILS

Sigma Aldrich - D6940

Biochem/physiol Actions
Neuroprotectant; anti-apoptotic.