3-(Dimethylamino)propiophenonhydrochlorid

1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)

HCID 92844CAS 879-72-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CN(C)CCC(=O)c1ccccc1.Cl
InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N
Summenformel: C11H16ClNO
Durchschnittliche Molmasse: 213,7 g/mol
Monoisotopische Masse: 213,09204181

Namen und Bezeichner

Bevorzugter Name: 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
IUPAC: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
Lokaler Name: 3-(Dimethylamino)propiophenonhydrochlorid
Englischer Name: 3-DIMETHYLAMINOPROPIOPHENONE HYDROCHLORIDE
Summenformel: C11H16ClNO
Molmasse: 213.7

Namen und Synonyme

879-72-13-(Dimethylamino)propiophenone hydrochlorideNSC 891-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloridebeta-Dimethylaminopropiophenone hydrochlorideEINECS 212-909-1NSC 31269Propiophenone, 3-(dimethylamino)-, hydrochlorideDTXSID90612531-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)RefChem:77162DTXCID8048604

Weitere Namen anzeigen

á-dapbeta-DAPNSC 629913LABOTEST-BB LT004544263-(DIMETHYLAMINO)PROPIOPHENONEHCLBETA-DIMETHYLAMINOPROPIOPHENONE HCL-DimethylaminopropiophenoneHydrochlorideB-DimethylaminopropiophenoneHydrochloride3-(dimethylamino)-1-phenylpropan-1-one HCl

UN2811betaDimethylaminopropiophenone hydrochloridePropiophenone, 3(dimethylamino), hydrochloride1Propanone, 3(dimethylamino)1phenyl, hydrochloride1Propanone, 3(dimethylamino)1phenyl, hydrochloride (1:1)212-909-13-(dimethylamino)-1-phenylpropan-1-one hydrochloride3-Dimethylaminopropiophenone hydrochloride

Datenbank-Bezeichner

CAS: 879-72-1
PubChem CID: 92844
DTXSID: DTXSID9061253
ChEMBL: CHEMBL528663
EC Number: 212-909-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 159

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionWhite odorless crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 150 · 150-155 °C(lit.)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: almost transparency
BRN: 3568398 · 3568398
InChI: InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1)(=O)CCN(C)C.[H]Cl
CAS Datenbank: 879 · 879-72-1(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (879-72-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryMay cause irritation; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

F: 3
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29223900
RTECS-Nr.: UH0600000
risk_code: 25-36/38
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2