4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate
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Names
[ CAS No. ]:
100700-37-6
[ Name ]:
4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate
[Synonym ]:
BUTYRONITRILE,4-(DIMETHYLAMINO)-2-ISOPROPYL-2-PHENYL-,CYCLOHEXANE SULFAMATE
3-cyano-n,n,4-trimethyl-3-phenylpentan-1-aminium cyclohexylsulfamate
4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate
TAT-1 cyclamate
Chemical & Physical Properties
[ Boiling Point ]:
335.5ºC at 760mmHg
[ Molecular Formula ]:
C21H35N3O3S
[ Molecular Weight ]:
409.58600
[ Flash Point ]:
133ºC
[ Exact Mass ]:
409.24000
[ PSA ]:
101.81000
[ LogP ]:
5.23888
[ Vapour Pressure ]:
0.000119mmHg at 25°C
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ET9825000
- CHEMICAL NAME :
- Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate
- CAS REGISTRY NUMBER :
- 100700-37-6
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C15-H22-N2.C6-H13-N-O3-S
- MOLECULAR WEIGHT :
- 409.65
- WISWESSER LINE NOTATION :
- 1Y1&XR&CN&2N1&1 &L6TJ AMSWQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 133 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