1-Piperazineethanol, 4-(m-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-, benzoate (ester)

Modify Date: 2025-10-01 21:06:42

1-Piperazineethanol, 4-(m-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-, benzoate (ester) Structure
1-Piperazineethanol, 4-(m-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-, benzoate (ester) structure
 Common Name 1-Piperazineethanol, 4-(m-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-, benzoate (ester)
CAS Number 19977-07-2 Molecular Weight 551.03700
Density 1.36g/cm3 Boiling Point 737.4ºC at 760mmHg
Molecular Formula C28H31ClN6O4 Melting Point N/A
MSDS N/A Flash Point 399.7ºC

 Names

Name 1-Piperazineethanol, 4-(m-chlorobenzyl)-α-(1,3-dimethyl-7-xanthiny lmethyl)-, benzoate (ester)

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 737.4ºC at 760mmHg
Molecular Formula C28H31ClN6O4
Molecular Weight 551.03700
Flash Point 399.7ºC
Exact Mass 550.21000
PSA 94.60000
LogP 2.00630
Vapour Pressure 1.32E-21mmHg at 25°C
Index of Refraction 1.662
InChIKey GXIDBXDJKNRNOI-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(ncn2CC(CN2CCN(Cc3cccc(Cl)c3)CC2)OC(=O)c2ccccc2)n(C)c1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL6970000
CHEMICAL NAME :
1-Piperazineethanol, 4-(m-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthinylmet hyl)-, benzoate (ester)
CAS REGISTRY NUMBER :
19977-07-2
BEILSTEIN REFERENCE NO. :
0601226
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C28-H31-Cl-N6-O4
MOLECULAR WEIGHT :
551.10
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ F1 H1 B1YR CG&- AT6N DNTJ D2OVR

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 :
58 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 89,771,1969
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Chemsrc provides CAS#:19977-07-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-Piperazineethanol, 4-(m-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-, benzoate (ester)>> amp version: 1-Piperazineethanol, 4-(m-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthiny lmethyl)-, benzoate (ester)

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