CAS 10315-03-4 4-Acetyl-4-phenylpiperidine hydrochloride (HCID 2723767)

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Basic information

CAS: 10315-03-4
Standard SMILES: CC(=O)C1(c2ccccc2)CCNCC1.Cl
InChIKey: JYDHZOIDIWUHDB-UHFFFAOYSA-N
Molecular formula: C13H18ClNO
Average molar mass: 239.74 g/mol
Monoisotopic mass: 239.10769188

Names & identifiers

Preferred name: 4-Acetyl-4-phenylpiperidine hydrochloride
IUPAC: 1-(4-phenylpiperidin-4-yl)ethanone;hydrochloride
English name: 4-ACETYL-4-PHENYLPIPERIDINE HYDROCHLORIDE
Molecular formula: C13H18ClNO
Molecular weight: 239.74

Names & synonyms

10315-03-44-Acetyl-4-phenylpiperidine hydrochloride1-(4-Phenylpiperidin-4-yl)ethan-1-one hydrochloride1-(4-Phenylpiperidin-4-yl)ethan-1-one HClNSC-57803XW2M3XY4FYDTXSID50145672RefChem:1070210DTXCID4068163233-694-01-(4-phenylpiperidin-4-yl)ethanone hydrochlorideMFCD00039037

Show more names

TIMTEC-BB SBB0032184-Acetyl-4-phenylpiperidineHydrochloride>4-Acetyl-4-phenylpiperidine hydrochloride,99%4-ACETYL-4-PHENYLPIPERIDINE HYDROCHLORIDE 99%1-(4-Phenyl-4-piperidinyl)-ethanone hydrochloride

1-(4-phenylpiperidin-4-yl)ethanone;hydrochloride4-ACETYL-4-PHENYLPIPERIDINE HCl4-acetyl-4-phenylpiperidine, chlorideEINECS 233-694-0SCHEMBL917775orb3031041ILIXCEOPJDISBX-UHFFFAOYSA-NFr12995

Database identifiers

CAS: 10315-03-4
PubChem CID: 2723767
DTXSID: DTXSID50145672
UNII: XW2M3XY4FY

Properties

Computed structural properties

Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 232 · 232-234 °C(lit.)
storage temp.: Store at room temperature, keep dry and cool
solubility: water: soluble(lit.)
form: Powder
color: Slightly yellow to beige
Water Solubility: almost transparency
InChI: 1S/C13H17NO.ClH/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12;/h2-6,14H,7-10H2,1H3;1H
InChIKey: JYDHZOIDIWUHDB-UHFFFAOYSA-N
SMILES: Cl[H].CC(=O)C1(CCNCC1)c2ccccc2
CAS DataBase Reference: 10315 · 10315-03-4(CAS DataBase Reference)
FDA UNII: 2 M3XY4FY · XW2M3XY4FY
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29333999
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H317-H319
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesReactant for synthesis of neurotransmitter transport inhibitors with activity at dopamine receptor sites

General Description4-Acetyl-4-phenylpiperidine hydrochloride generates acetylperoxyl radical via laser flash photolysis in the presence of oxygen.