4-(dimethylamino)-2-phenylbutyronitrile

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

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

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

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

4-(dimethylamino)-2-phenylbutyronitrile MSDS(Chinese)

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

4-(dimethylamin...

CAS#:158696-51-6

~94%

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

Benzyl cyanide

CAS#:140-29-4

2-Chloroethyldi...

CAS#:107-99-3

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

N,N-dimethyl-3-...

CAS#:42817-44-7

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-(dimethylamin...

CAS#:158696-48-1

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

Dimethylamine

CAS#:124-40-3

4-(dimethylamin...

CAS#:50599-78-5

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

Precursor 5
CAS#:158696-51-6 4-(dimethylamin... CAS#:140-29-4 Benzyl cyanide CAS#:107-99-3 2-Chloroethyldi... CAS#:42817-44-7 N,N-dimethyl-3-...
CAS#:124-40-3 Dimethylamine
DownStream 10
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