CAS 879-72-1 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1) (HCID 92844)

Names & identifiers

Preferred name: 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
IUPAC: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
English name: 3-DIMETHYLAMINOPROPIOPHENONE HYDROCHLORIDE
Molecular formula: C11H16ClNO
Molecular weight: 213.7

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 159

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionWhite odorless crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 150 · 150-155 °C(lit.)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Almost white
Water Solubility: 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 DataBase Reference: 879 · 879-72-1(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (879-72-1)
UNSPSC Code: 12352107 · 12352107
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319
Precautionary statements: 301 · P301+P310+P330-P302+P352-P305+P351+P338
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T
Risk Statements: 25 · 25-36/38
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 600000 · UH0600000
F: 3 · 3
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29223900 · 29223900
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

F: 3
PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: UH0600000
ridadr: UN 2811 6.1/PG 3
hs_code: 29223900
risk_code: 25-36/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: II
Hazard statements: H301-H315-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
Precautionary statements: P301+P310+P330-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1): ACTIVE

Applications

Uses3-(Dimethylamino)propiophenone Hydrochloride is a Mannich base hydrochloride and is used as a reagent in the synthesis of 9- and 11-substituted 4-azapaullones as selective inhibitors of African trypanosoma.