CID 657188
Basic information
- CAS
306-07-0- Standard SMILES
C#CCN(C)Cc1ccccc1.[Cl-].[H+]- InChIKey
BCXCABRDBBWWGY-UHFFFAOYSA-N- Molecular formula
- C11H14ClN
- Average molar mass
- 195.69 g/mol
- Monoisotopic mass
- 195.0814771
Overview
See also: Pargyline Hydrochloride (preferred); Pargyline (has active moiety).
Names & identifiers
- Preferred name
- CID 657188
- IUPAC
- N-benzyl-N-methylprop-2-yn-1-amine;hydron;chloride
- English name
- Pargyline hydrochloride
- Molecular formula
- C11H14ClN
- Molecular weight
- 195.69
Names & synonyms
AKOS015901137NSC 43798pargyline hclParguline HCLpargylinechloridePARGYLINE HYDROCHLORPargyline hydrochlorideParglycine hydrochloridePargylamine hydrochloridePargyline Hydrochloride (200 mg)PARGYLINE HYDROCHLORIDE USP/EP/BP
Database identifiers
- CAS
306-07-0- PubChem CID
- 657188
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 160 · 160-163 °C(lit.)
- storage temp.
- -20 °C · -20°C
- solubility
- 33.55 mg/mL · ≥33.55 mg/mL in EtOH; ≥51.6 mg/mL in H2O; ≥7.55 mg/mL in DMSO
- form
- A crystalline solid
- color
- 2 O · Crystals from EtOH/Et2O
- biological source
- synthetic
- Water Solubility
- 50 mg/mL, · water: 50mg/mL, clear, colorless to faintly yellow
- Merck
- 13 · 13,7110
- BRN
- 3699487 · 3699487
- 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
- SMILES
- C1(=CC=CC=C1)CN(C)CC#C.Cl
- CAS DataBase Reference
- 306 · 306-07-0
- FDA UNII
- 70 V6I2OMY · W70V6I2OMY
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- DP6650000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2921199990
- Toxicity
- LD50 orl-rat: 250 mg/kg 27ZQAG -,401,72
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 22-24/25
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
UsesPargyline hydrochloride has been used: as a histone demethylase inhibitor to treat monocytes to investigate whether various inhibitors affect training to maximize uptake into dopaminergic neurons (DA) neurons in experimental rats, to study its effect on discolouration of medullary tissues of sclerotia of S. sclerotiorum
UsesAntihypertensor;Monoamine oxidase inhibitor
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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