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50599-78-5

50599-78-5 structure
50599-78-5 structure
  • Name: 4-(dimethylamino)-2-phenylbutyronitrile
  • Chemical Name: 4-(dimethylamino)-2-phenylbutanenitrile
  • CAS Number: 50599-78-5
  • Molecular Formula: C12H16N2
  • Molecular Weight: 188.26900
  • Create Date: 2017-05-12 00:13:02
  • Modify Date: 2025-08-25 11:48:58
Name 4-(dimethylamino)-2-phenylbutanenitrile
Synonyms 1-cyano-1-phenyl-3-dimethylamino-propane
EINECS 256-642-9
4-dimethylamino-2-phenylbutanenitrile
BUTYRONITRILE,4-DIMETHYLAMINO-2-PHENYL
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

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
158696-51-6 structure

158696-51-6

~94%

50599-78-5 structure

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
140-29-4 structure

140-29-4

107-99-3 structure

107-99-3

~%

50599-78-5 structure

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
42817-44-7 structure

42817-44-7

~%

50599-78-5 structure

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
158696-48-1 structure

158696-48-1

~%

50599-78-5 structure

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
124-40-3 structure

124-40-3

~%

50599-78-5 structure

50599-78-5

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