(E)-but-2-enedioic acid,1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

Names

[ CAS No. ]:
21699-88-7

[ Name ]:
(E)-but-2-enedioic acid,1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

[Synonym ]:
(E)-but-2-enedioic acid
Piperazine,1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-,maleate (1:1)
1-Phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine maleate
1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

Chemical & Physical Properties

[ Molecular Formula ]:
C24H28N2O4S

[ Molecular Weight ]:
440.55500

[ Exact Mass ]:
440.17700

[ PSA ]:
106.38000

[ LogP ]:
4.15050

[ Vapour Pressure ]:
1.5E-08mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM2643220
CAS REGISTRY NUMBER :
21699-88-7
LAST UPDATED :
198612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H24-N2-S.C4-H4-O4
MOLECULAR WEIGHT :
440.60

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/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

Related Compounds

  • O-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]hydroxylamine
  • O-[2-(quinoxalin-2-yl)propyl]hydroxylamine
  • O-[2-(4-chloro-1-ethyl-1H-imidazol-5-yl)-2-methylpropyl]hydroxylamine
  • 2-{2-[(2S)-oxiran-2-yl]ethyl}-1H-1,3-benzodiazole
  • 5-Chloro-6-(propan-2-yloxy)pyridine-3-sulfonamide
  • 3-({4-[2-(dimethylamino)ethyl]-5-methyl-4H-1,2,4-triazol-3-yl}methyl)cyclobutan-1-amine
  • 1-[2-(2H-1,2,3-triazol-2-yl)quinolin-3-yl]methanamine
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-[(ethoxycarbonyl)(methyl)amino]butanoate
  • trans-4-(4-Methoxyphenoxy)oxolan-3-ol
  • 3-({5-methyl-4-[(pyridin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}methyl)cyclobutan-1-amine
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