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21699-85-4

21699-85-4 structure

21699-85-4 structure

Name: (Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine
Chemical Name: (Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine
CAS Number: 21699-85-4
Molecular Formula: C₁₉H₂₅NO₄S
Molecular Weight: 363.47100
Create Date: 2018-06-21 11:23:11
Modify Date: 2025-09-18 15:55:38

Name	(Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine

Boiling Point	343.8ºC at 760 mmHg
Molecular Formula	C₁₉H₂₅NO₄S
Molecular Weight	363.47100
Flash Point	161.7ºC
Exact Mass	363.15000
PSA	103.14000
LogP	3.74920
Vapour Pressure	6.86E-05mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TN4222900

CAS REGISTRY NUMBER :: 21699-85-4

LAST UPDATED :: 198612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H21-N-S.C4-H4-O4

MOLECULAR WEIGHT :: 363.51

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 :: 40 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 33,4315,1968

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