4-(dimethylamino)-2-phenylbutyronitrile

Modify Date: 2025-08-25 11:48:58

4-(dimethylamino)-2-phenylbutyronitrile Structure
4-(dimethylamino)-2-phenylbutyronitrile structure
Common Name 4-(dimethylamino)-2-phenylbutyronitrile
CAS Number 50599-78-5 Molecular Weight 188.26900
Density 0.992g/cm3 Boiling Point 294.5ºC at 760 mmHg
Molecular Formula C12H16N2 Melting Point N/A
MSDS N/A Flash Point 118ºC

 Names

Name 4-(dimethylamino)-2-phenylbutanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.992g/cm3
Boiling Point 294.5ºC at 760 mmHg
Molecular Formula C12H16N2
Molecular Weight 188.26900
Flash Point 118ºC
Exact Mass 188.13100
PSA 27.03000
LogP 2.24548
Index of Refraction 1.523
InChIKey SKQMIWWQYUSWFP-UHFFFAOYSA-N
SMILES CN(C)CCC(C#N)c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET9845000
CHEMICAL NAME :
Butyronitrile, 4-dimethylamino-2-phenyl-
CAS REGISTRY NUMBER :
50599-78-5
BEILSTEIN REFERENCE NO. :
2805419
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-N2
MOLECULAR WEIGHT :
188.30
WISWESSER LINE NOTATION :
NCYR&2N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00368

 Synthetic Route

~94%

4-(dimethylamino)-2-phenylbutyronitrile Structure

4-(dimethylamin...

CAS#:50599-78-5

Literature: Botteghi, Carlo; Chelucci, Giorgio; Ponte, Gino Del; Marchetti, Mauro; Paganelli, Stefano Journal of Organic Chemistry, 1994 , vol. 59, # 23 p. 7125 - 7127

~%

4-(dimethylamino)-2-phenylbutyronitrile Structure

4-(dimethylamin...

CAS#:50599-78-5

Literature: Clarke; Mooradian Journal of the American Chemical Society, 1949 , vol. 71, p. 2825 Full Text View citing articles Show Details Kwartler; Lucas Journal of the American Chemical Society, 1946 , vol. 68, p. 2395 Full Text View citing articles Show Details Kaegi; Miescher Helvetica Chimica Acta, 1949 , vol. 32, p. 2489,2497

~%

4-(dimethylamino)-2-phenylbutyronitrile Structure

4-(dimethylamin...

CAS#:50599-78-5

Literature: Botteghi, Carlo; Chelucci, Giorgio; Ponte, Gino Del; Marchetti, Mauro; Paganelli, Stefano Journal of Organic Chemistry, 1994 , vol. 59, # 23 p. 7125 - 7127

~%

4-(dimethylamino)-2-phenylbutyronitrile Structure

4-(dimethylamin...

CAS#:50599-78-5

Literature: Botteghi, Carlo; Chelucci, Giorgio; Ponte, Gino Del; Marchetti, Mauro; Paganelli, Stefano Journal of Organic Chemistry, 1994 , vol. 59, # 23 p. 7125 - 7127

~%

4-(dimethylamino)-2-phenylbutyronitrile Structure

4-(dimethylamin...

CAS#:50599-78-5

Literature: Anker; Cook Journal of the Chemical Society, 1948 , p. 806,808

 Synonyms

1-cyano-1-phenyl-3-dimethylamino-propane
EINECS 256-642-9
4-dimethylamino-2-phenylbutanenitrile
BUTYRONITRILE,4-DIMETHYLAMINO-2-PHENYL
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