Phenyl(diethylamino)acetonitrile

Modify Date: 2025-09-13 10:10:45

Phenyl(diethylamino)acetonitrile Structure
Phenyl(diethylamino)acetonitrile structure
Common Name Phenyl(diethylamino)acetonitrile
CAS Number 5097-99-4 Molecular Weight 188.26900
Density 0.992g/cm3 Boiling Point 274.6ºC at 760 mmHg
Molecular Formula C12H16N2 Melting Point N/A
MSDS N/A Flash Point 105.2ºC

 Names

Name 2-(diethylamino)-2-phenylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.992g/cm3
Boiling Point 274.6ºC at 760 mmHg
Molecular Formula C12H16N2
Molecular Weight 188.26900
Flash Point 105.2ºC
Exact Mass 188.13100
PSA 27.03000
LogP 2.59308
Index of Refraction 1.523
InChIKey MNUHBMWEFILMEW-UHFFFAOYSA-N
SMILES CCN(CC)C(C#N)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL9275000
CHEMICAL NAME :
Acetonitrile, (diethylamino)phenyl-
CAS REGISTRY NUMBER :
5097-99-4
BEILSTEIN REFERENCE NO. :
2099346
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-N2
MOLECULAR WEIGHT :
188.30
WISWESSER LINE NOTATION :
NC1R XN2&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 12,447,1904

 Safety Information

HS Code 2926909090

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

Diaethylamino-phenyl-acetonitril
diethylamino-phenyl-acetonitrile
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