3-(tert-Butylamino)acetylindole hydrochloride hydrate

Modify Date: 2024-02-15 16:17:25

3-(tert-Butylamino)acetylindole hydrochloride hydrate Structure
3-(tert-Butylamino)acetylindole hydrochloride hydrate structure
Common Name 3-(tert-Butylamino)acetylindole hydrochloride hydrate
CAS Number 78907-16-1 Molecular Weight 284.78200
Density N/A Boiling Point 399ºC at 760 mmHg
Molecular Formula C14H21ClN2O2 Melting Point N/A
MSDS N/A Flash Point 195.1ºC

 Names

Name tert-butyl-[2-(1H-indol-3-yl)-2-oxoethyl]azanium,chloride

 Chemical & Physical Properties

Boiling Point 399ºC at 760 mmHg
Molecular Formula C14H21ClN2O2
Molecular Weight 284.78200
Flash Point 195.1ºC
Exact Mass 284.12900
PSA 54.12000
LogP 3.86730

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5300000
CHEMICAL NAME :
Indole, 3-((tert-butylamino)acetyl)-, hydrochloride, hydrate
CAS REGISTRY NUMBER :
78907-16-1
LAST UPDATED :
198609
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H18-N2-O.Cl-H.H2-O
MOLECULAR WEIGHT :
284.82
WISWESSER LINE NOTATION :
T56 BMJ DV1MX1&1&1 &GH &QH

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 :
410 mg/kg
TOXIC EFFECTS :
Behavioral - wakefulness Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,412,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
275 ug/kg
TOXIC EFFECTS :
Behavioral - wakefulness Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,412,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Behavioral - wakefulness Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,412,1981