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77-51-0

77-51-0 structure
77-51-0 structure
  • Name: isoaminile
  • Chemical Name: 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
  • CAS Number: 77-51-0
  • Molecular Formula: C16H24N2
  • Molecular Weight: 244.37500
  • Catalog: API Respiratory medication Antitussive
  • Create Date: 2018-06-23 17:07:40
  • Modify Date: 2024-04-05 11:26:10

Name 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
Synonyms Nullatuss
4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile
Isoaminile
Isoaminilo [INN-Spanish]
EINECS 201-033-5
Isoaminil
Isoaminilum [INN-Latin]
Aprecon
Density 0.952g/cm3
Boiling Point 346.1ºC at 760mmHg
Molecular Formula C16H24N2
Molecular Weight 244.37500
Flash Point 136.2ºC
Exact Mass 244.19400
PSA 27.03000
LogP 3.44418
Index of Refraction 1.504
Storage condition -196°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV8520000
CHEMICAL NAME :
Valeronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-
CAS REGISTRY NUMBER :
77-51-0
LAST UPDATED :
199707
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C16-H24-N2
MOLECULAR WEIGHT :
244.42
WISWESSER LINE NOTATION :
1Y1&XR&CN&1Y1&N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
378 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,323,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
77 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,323,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
127 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,323,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
55 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,323,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
48400 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,323,1968