Pentylone hydrochloride
Basic information
- CAS
17763-01-8- Standard SMILES
CCCC(NC)C(=O)c1ccc2c(c1)OCO2.Cl- InChIKey
WEFFVTZHXLDTJV-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO3
- Average molar mass
- 271.74 g/mol
- Monoisotopic mass
- 271.0975211
Names & identifiers
- Preferred name
- Pentylone hydrochloride
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one;hydrochloride
- English name
- 2-(MethylaMino)-3',4'-(Methylenedioxy)valerophenone Hydrochloride
- Molecular formula
- C13H18ClNO3
- Molecular weight
- 271.74
Names & synonyms
17763-01-8Pentylone hydrochloride2-(Methylamino)-3',4'-(methylenedioxy)valerophenone HydrochlorideG25D1I5MV5Pentylone.HClPentylone (hydrochloride) (exempt preparation)1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one;hydrochloridePentylone (hydrochloride)Valerophenone, 2-(methylamino)-3',4'-(methylenedioxy)-, hydrochloride1-(2H-1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one hydrochloride1-Pentanone, 1-(1,3-benzodioxol-5-yl)-2-(methylamino)-, hydrochloride (1:1)Pentylone HCl
Show more names
THJ-018THG-2201thj-018 powderTHG 2201 POWDERValerophenone 1-PentanonePentylone hydrochloride saltPentylone (hydrochloride) (CRM)Pentylone hydrochloride solution
Pentylone Hydrochloride; 1-Pentanone, 1-(1,3-benzodioxol-5-yl)-2-(methylamino)-, hydrochloride (1:1); Valerophenone, 2-(methylamino)-3',4'-(methylenedioxy)-, hydrochloride (8CI); bk-MBDP HClUNII-G25D1I5MV5DTXSID70858010DEA NO. 7542 (Hydrochloride)SAA76301AKOS027447370Pentylone:hydrochloride 1.0 mg/ml in methanolPentylone.HCl, 1mg/ml in Methanol (as free base)
Database identifiers
- CAS
17763-01-8- PubChem CID
- 71750183
- DTXSID
DTXSID70858010- UNII
- G25D1I5MV5
- EC Number
- 803-312-2
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 211 · 211-214°C
- Flash point
- 9 ℃ · 9℃
- storage temp.
- -20 °C · -20°C
- solubility
- PBS (pH 7.2): 1 mg/ml
- form
- A neat solid
- Major Application
- forensics and toxicology
- InChI
- 1S/C13H17NO3.ClH/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11;/h5-7,10,14H,3-4,8H2,1-2H3;1H
- InChIKey
- WEFFVTZHXLDTJV-UHFFFAOYSA-N
- SMILES
- Cl.N(C(CCC)C(=O)c1cc2c(cc1)OCO2)C
- FDA UNII
- 25 D1I5MV5 · G25D1I5MV5
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H370
- Precautionary statements
- 210 · P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 16-36/37-45
- Storage Class
- 3 - Flammable liquids
- target organs
- Eyes,Central nervous system
- Hazard statements
- H225-H301+H311+H331-H370
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- Precautionary statements
- P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
Chemistry & industry
Applications
UsesAn analog of MDMA and Methylone.
General DescriptionDeveloped in the 1960′s, pentylone is a newer bath salt cathinone and stimulant sold in a blend called “NRG-1” with other bath salts such as flephedrone, MDPBP, MDPV, and MPPP. Pentylone has also been found in a separate blend with MPPP called “NRG-3.”
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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