Benzenamine, 4-(1H-inden-1-ylidenemethyl)- (9CI)

Modify Date: 2025-08-27 15:44:20

Benzenamine, 4-(1H-inden-1-ylidenemethyl)- (9CI) structure	Common Name	Benzenamine, 4-(1H-inden-1-ylidenemethyl)- (9CI)
	CAS Number	487-61-6	Molecular Weight	219.28100
	Density	1.205g/cm3	Boiling Point	413.9ºC at 760 mmHg
	Molecular Formula	C₁₆H₁₃N	Melting Point	N/A
	MSDS	N/A	Flash Point	223.3ºC

Name	Benzenamine, 4-(1H-inden-1-ylidenemethyl)- (9CI)

Density	1.205g/cm3
Boiling Point	413.9ºC at 760 mmHg
Molecular Formula	C₁₆H₁₃N
Molecular Weight	219.28100
Flash Point	223.3ºC
Exact Mass	219.10500
PSA	26.02000
LogP	4.41740
Vapour Pressure	4.63E-07mmHg at 25°C
Index of Refraction	1.734
InChIKey	GISMNWZLKDONAA-KAMYIIQDSA-N
SMILES	Nc1ccc(C=C2C=Cc3ccccc32)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XU7550000

CHEMICAL NAME :: p-Toluidine, alpha-inden-1-ylidene-

CAS REGISTRY NUMBER :: 487-61-6

LAST UPDATED :: 199709

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C16-H13-N

MOLECULAR WEIGHT :: 219.30

WISWESSER LINE NOTATION :: L56 BYJ BU1R DZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 125 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,771,1970

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 13770 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02679

4-Aminobenzaldehyde structure

4-Aminobenzaldehyde

CAS#:556-18-3

Indene structure

Indene

CAS#:95-13-6

~%

Benzenamine, 4-(1H-inden-1-ylidenemethyl)- (9CI) Structure

Benzenamine, 4-...

CAS#:487-61-6

Literature: Bahner,C.T. et al. Journal of Medicinal Chemistry, 1965 , vol. 8, p. 390 - 392

Precursor 2
CAS#:556-18-3 4-Aminobenzaldehyde CAS#:95-13-6 Indene
DownStream 2
CAS#:30117-74-9 Benzenamine,4-[... CAS#:30117-77-2 1-Triazene,1-[4...

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