4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate

Modify Date: 2024-04-03 10:41:28

4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate Structure
4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate structure
 Common Name 4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate
CAS Number 100700-37-6 Molecular Weight 409.58600
Density N/A Boiling Point 335.5ºC at 760mmHg
Molecular Formula C21H35N3O3S Melting Point N/A
MSDS N/A Flash Point 133ºC

 Names

Name (3-cyano-4-methyl-3-phenylpentyl)-dimethylazanium,N-cyclohexylsulfamate
Synonym More Synonyms

 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
InChIKey TYHONNDWIFYQMB-UHFFFAOYSA-N
SMILES CC(C)C(C#N)(CC[NH+](C)C)c1ccccc1.O=S(=O)([O-])NC1CCCCC1

 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

 Synonyms

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
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Chemsrc provides CAS#:100700-37-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate>> amp version: 4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate

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