1-(1H-indol-3-yl)-2-(tert-butylamino)propan-1-one hydrate hydrochlorid e

Modify Date: 2025-08-27 14:14:30

1-(1H-indol-3-yl)-2-(tert-butylamino)propan-1-one hydrate hydrochlorid e structure	Common Name	1-(1H-indol-3-yl)-2-(tert-butylamino)propan-1-one hydrate hydrochlorid e
	CAS Number	78907-15-0	Molecular Weight	298.80800
	Density	N/A	Boiling Point	404.6ºC at 760 mmHg
	Molecular Formula	C₁₅H₂₃ClN₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	198.5ºC

Name	2-(tert-butylamino)-1-(1H-indol-3-yl)propan-1-one,hydrate,hydrochloride

Boiling Point	404.6ºC at 760 mmHg
Molecular Formula	C₁₅H₂₃ClN₂O₂
Molecular Weight	298.80800
Flash Point	198.5ºC
Exact Mass	298.14500
PSA	54.12000
LogP	4.25580
InChIKey	TZPCCCCYPIGCBQ-UHFFFAOYSA-N
SMILES	CC(NC(C)(C)C)C(=O)c1c[nH]c2ccccc12.Cl.O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UC0630000

CHEMICAL NAME :: 1-Propanone, 2-(tert-butylamino)-1-(3-indolyl)-, monohydrochloride, monohydrate

CAS REGISTRY NUMBER :: 78907-15-0

LAST UPDATED :: 198609

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C15-H20-N2-O.Cl-H.H2-O

MOLECULAR WEIGHT :: 298.85

WISWESSER LINE NOTATION :: T56 BMJ DVY1&MX1&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 :: 515 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 315 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 :: 95 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

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