1,4-Butanediamine,N1-[2-[2-(dimethylamino)ethyl]-4-methyl-2-(1-naphthalenyl)pentylidene]-N4,N4-dimethyl-2-(2-methylpropyl)-2-(1-naphthalenyl)-

Modify Date: 2025-08-22 22:11:00

1,4-Butanediamine,N1-[2-[2-(dimethylamino)ethyl]-4-methyl-2-(1-naphthalenyl)pentylidene]-N4,N4-dimethyl-2-(2-methylpropyl)-2-(1-naphthalenyl)- structure	Common Name	1,4-Butanediamine,N1-[2-[2-(dimethylamino)ethyl]-4-methyl-2-(1-naphthalenyl)pentylidene]-N4,N4-dimethyl-2-(2-methylpropyl)-2-(1-naphthalenyl)-
	CAS Number	31429-04-6	Molecular Weight	577.88500
	Density	0.97g/cm3	Boiling Point	693ºC at 760 mmHg
	Molecular Formula	C₄₀H₅₅N₃	Melting Point	N/A
	MSDS	N/A	Flash Point	372.9ºC

Name	3-[[[2-[2-(dimethylamino)ethyl]-4-methyl-2-naphthalen-1-ylpentylidene]amino]methyl]-N,N,5-trimethyl-3-naphthalen-1-ylhexan-1-amine

Density	0.97g/cm3
Boiling Point	693ºC at 760 mmHg
Molecular Formula	C₄₀H₅₅N₃
Molecular Weight	577.88500
Flash Point	372.9ºC
Exact Mass	577.44000
PSA	18.84000
LogP	9.23520
Index of Refraction	1.545
InChIKey	CKAFUQZOQFUECR-UHFFFAOYSA-N
SMILES	CC(C)CC(C=NCC(CCN(C)C)(CC(C)C)c1cccc2ccccc12)(CCN(C)C)c1cccc2ccccc12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QK0365700

CHEMICAL NAME :: 1-Naphthalenepropylamine, gamma,gamma'-nitrilodimethylenebis(N,N-dimethyl-gamma -isobutyl-

CAS REGISTRY NUMBER :: 31429-04-6

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C40-H55-N3

MOLECULAR WEIGHT :: 577.98

WISWESSER LINE NOTATION :: L66J BX1Y1&1&2N1&1&1UN1X1Y1&1&2N1&1&- BL66J

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

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

REFERENCE :: CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 6,10,1971

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