benzyl(methyl)(prop-2-yn-1-yl)amine hydrochloride

• ChemBase ID: 131850
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: CN(CC#C)Cc1ccccc1.Cl
• Canonical SMILES: CN(Cc1ccccc1)CC#C.Cl
• InChI: InChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h1,4-8H,9-10H2,2H3;1H
• InChIKey: BCXCABRDBBWWGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)(prop-2-yn-1-yl)amine hydrochloride
• IUPAC Traditional name: pargyline hydrochloride
• Synonyms: Pargyline hydrochloride; N-Methyl-N-(2-propynyl)benzylamine hydrochloride; N-Methyl-N-propargylbenzylamine hydrochloride; N-甲基-N-2-丙炔基苄胺 盐酸盐; N-甲基-N-丙炔基苄胺 盐酸盐; 优降宁 盐酸盐

Database IDs

• CAS Number: 306-07-0
• EC Number: 206-175-1
• MDL Number: MFCD00012492
• Beilstein Number: 3699487
• PubChem SID: 162226127; 24278153
• PubChem CID: 9373

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.4371948
• LogD (pH = 7.4): 1.3357589
• Log P: 2.1427257
• Molar Refractivity: 52.1809 cm^3
• Polarizability: 20.026718 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL, clear, colorless
• Melting Point: 160-163 °C(lit.)

Safety Information

• RTECS: DP6650000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22
• Safety Statements: 22-24/25
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... MAOB(4129)

Product Information

• Purity: ≥98.5% (NT); 99%
• Linear Formula: C6H5CH2N(CH3)CH2C≡CH·HCl

DETAILS

Sigma Aldrich - D026

Biochem/physiol Actions
选择性 MAO-B 抑制剂。

Sigma Aldrich - P8013

Biochem/physiol Actions
选择性 MAO-B 抑制剂。
包装
1, 5 g in glass bottle
500 mg in glass bottle

Sigma Aldrich - 191736

Biochem/physiol Actions
Selective MAO-B inhibitor.

Sigma Aldrich - 76269

Biochem/physiol Actions
Selective MAO-B inhibitor.
Other Notes
Inhibitor of monoamine oxidase. Prevents MPTP-induced Parkinsonism in primates1