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

Modify Date: 2025-09-18 15:55:38

(Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine Structure
(Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine structure
 Common Name (Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine
CAS Number 21699-85-4 Molecular Weight 363.47100
Density N/A Boiling Point 343.8ºC at 760 mmHg
Molecular Formula C19H25NO4S Melting Point N/A
MSDS N/A Flash Point 161.7ºC

 Names

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

 Chemical & Physical Properties

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
InChIKey UXLJUQKZLCQCRS-BTJKTKAUSA-N
SMILES O=C(O)C=CC(=O)O.c1ccc2c(c1)SCCCC2N1CCCCC1

 Toxicological Information

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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Chemsrc provides CAS#:21699-85-4 MSDS, density, melting point, boiling point, structure, etc. Its name is (Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine>> amp version: (Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine

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