Melitracen hydrochloride supplier

Name
Melitracen hydrochloride
EINECS 234-150-5
CAS No. 10563-70-9
Density 1.046 g/cm3
Solubility
Melting Point 245-248 °C
Formula C₂₁H₂₅N^.HCl
Boiling Point 399.1 °C at 760 mmHg
Molecular Weight 327.90
Flash Point 174.4 °C
Transport Information
Appearance crystalline solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propanamine,3-(10,10-dimethyl-9(10H)-anthracenylidene)-N,N-dimethyl-, hydrochloride (9CI);D9(10H),g-Anthracenepropylamine,N,N,10,10-tetramethyl-, hydrochloride (7CI,8CI);9-(3-Dimethylaminopropylidene)-10,10-dimethyl-9,10-dihydroanthracenehydrochloride;Dixeran;Melixeran;U 24973A;3-[10,10-Dimethyl-9(10H)-anthrylidene]-N,N-dimethylpropylamine hydrochloride;
PSA 3.24000
LogP 5.51130

Melitracen hydrochloride Specification

The IUPAC name of Melitracen hydrochloride is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine hydrochloride. With the CAS registry number 10563-70-9, it is also named as 9-(3-Dimethylaminopropylidene)-10,10-dimethyl-9,10-dihydroanthracene hydrochloride. The product's categories are Antidepressant; Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; Isotope Labeled Compounds. Besides, it is crystalline solid, which can be used as antidepressant. In addition, its molecular formula is C₂₁H₂₅N^.HCl and molecular weight is 327.90.

The other characteristics of Melitracen hydrochloride can be summarized as: (1)EINECS: 234-150-5; (2)ACD/LogP: 5.08; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 2.08; (5)ACD/LogD (pH 7.4): 3.31; (6)ACD/BCF (pH 5.5): 4.26; (7)ACD/BCF (pH 7.4): 73.17; (8)ACD/KOC (pH 5.5): 13.81; (9)ACD/KOC (pH 7.4): 237.13; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 3.24 Å²; (14)Flash Point: 174.4 °C; (15)Melting Point: 245-248 °C; (16)Enthalpy of Vaporization: 64.98 kJ/mol; (17)Boiling Point: 399.1 °C at 760 mmHg; (18)Vapour Pressure: 1.4E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.c3ccc2c(/C(c1c(cccc1)C2(C)C)=C\CCN(C)C)c3
(2)InChI: InChI=1/C21H25N.ClH/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21;/h5-8,10-14H,9,15H2,1-4H3;1H
(3)InChIKey: RADLXCPDUXFGFF-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C21H25N.ClH/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21;/h5-8,10-14H,9,15H2,1-4H3;1H
(5)Std. InChIKey: RADLXCPDUXFGFF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	115mg/kg (115mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1799, 1967.
mouse	LD50	intravenous	31mg/kg (31mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1799, 1967.
mouse	LD50	oral	315mg/kg (315mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 80, 1972.
mouse	LD50	subcutaneous	275mg/kg (275mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
rat	LD50	intraperitoneal	96mg/kg (96mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 80, 1972.
rat	LD50	oral	170mg/kg (170mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 80, 1972.
rat	LD50	subcutaneous	760mg/kg (760mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.

Product Name

Melitracen hydrochloride

Melitracen hydrochloride Specification

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