N,N-Diethyl-m-phenetidine

HCID 74625

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Basic information

CAS: 1864-92-2
Standard SMILES: CCOc1cccc(N(CC)CC)c1
InChIKey: ODQSBWZDOSNPAH-UHFFFAOYSA-N
Molecular formula: C12H19NO
Average molar mass: 193.28 g/mol
Monoisotopic mass: 193.14666423

Names & identifiers

Preferred name: N,N-Diethyl-m-phenetidine
IUPAC: 3-ethoxy-N,N-diethylaniline
English name: 3-Ethoxy-N,N-diethylaniline
Molecular formula: C12H19NO
Molecular weight: 193.29

Names & synonyms

3-Ethoxy-N,N-diethylanilineN,N-Diethyl-m-phenetidineN,N-Diethyl-3-phenetidineBenzenamine, 3-ethoxy-N,N-diethyl-N,N-Diethyl-3-ethoxyanilinem-(Diethylamino)phenetolem-Phenetidine, N,N-diethyl-3-ETHOXY-N,N-DIETHYLBENZENAMINE1-(Diethylamino)-3-ethoxybenzeneNSC-6262YWG1RHJ002NSC 6262

Show more names

DIETHYL-M-PHENETIDINEDiethylamino phenetolem-N,N-Diethylphenetidine3-(Diethylamino)phenetolem-(Diethylamino) phenetoleIsosulfan Blue Impurity 18

EINECS 217-469-4UNII-YWG1RHJ002DTXSID80620243-(DIETHYLAMINO)-1-ETHOXYBENZENERefChem:161172DTXCID4035889m-Phenetidine, N,N-diethyl-(8CI)217-469-4

Database identifiers

CAS: 1864-92-2
PubChem CID: 74625
DTXSID: DTXSID8062024
UNII: YWG1RHJ002
EC Number: 217-469-4
Nikkaji: J59.968I

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 145

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 270 °C · 270 °C
Density: 0.98 · 0.98
refractive index: 1.5342 · 1.5342 (589.3 nm 20℃)
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 6.32 · 6.32±0.30(Predicted)
Specific Gravity: 0.98 · 0.98
color: Colorless to Light orange to Yellow
FDA UNII: 1 RHJ002 · YWG1RHJ002
EPA Substance Registry System: 3 · Benzenamine, 3-ethoxy-N,N-diethyl- (1864-92-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H302+H312+H332
Precautionary statements: 210 · P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P370+P378-P403+P235-P501
TSCA: TSCA listed
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Benzenamine, 3-ethoxy-N,N-diethyl-

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2922290090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H227-H302+H312+H332
Precautionary statements: P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P370+P378-P403+P235-P501