ethoheptazine

Modify Date: 2025-08-25 18:32:27

ethoheptazine Structure
ethoheptazine structure
Common Name ethoheptazine
CAS Number 77-15-6 Molecular Weight 261.35900
Density 1.037 g/cm3 Boiling Point 346.4ºC at 760 mmHg
Molecular Formula C16H23NO2 Melting Point N/A
MSDS N/A Flash Point 114.4ºC

 Names

Name ethyl 1-methyl-4-phenylazepane-4-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.037 g/cm3
Boiling Point 346.4ºC at 760 mmHg
Molecular Formula C16H23NO2
Molecular Weight 261.35900
Flash Point 114.4ºC
Exact Mass 261.17300
PSA 29.54000
LogP 2.54110
Index of Refraction 1.514
InChIKey WGJHHMKQBWSQIY-UHFFFAOYSA-N
SMILES CCOC(=O)C1(c2ccccc2)CCCN(C)CC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CM2800000
CHEMICAL NAME :
Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester
CAS REGISTRY NUMBER :
77-15-6
BEILSTEIN REFERENCE NO. :
0088192
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C16-H23-N-O2
MOLECULAR WEIGHT :
261.40
WISWESSER LINE NOTATION :
T7NTJ A1 DVO2 DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
355 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
34 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
277 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
318 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 134,154,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
167 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,51,1969

 Precursor & DownStream

Precursor  0

DownStream  1

 Synonyms

1-Methyl-4-phenyl-hexahydro-azepin-4-carbonsaeure-aethylester
ETHOHEPTAZINE
Etoheptazina [INN-Spanish]
Zactane
Ethoheptazinum [INN-Latin]
(+-)-1-methyl-4-phenyl-hexahydro-azepine-4-carboxylic acid ethyl ester
Aethoheptazin
Ethoheptazine [BAN]
Ethyl heptazine
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