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Name	2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate	EINECS	N/A
CAS No.	4724-58-7	Density	g/cm³
PSA	144.60000	LogP	2.41410
Solubility	N/A	Melting Point	N/A
Formula	C₁₈H₂₃NO•C₆H₈O₇	Boiling Point	363°Cat760mmHg
Molecular Weight	461.56	Flash Point	107.1°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion, intramuscular, and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x. See also ETHERS.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate;R-528;Benhexal;

2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate Chemical Properties

Product Name: 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate (CAS NO.4724-58-7)

Molecular Formula: C₁₈H₂₃NO•C₆H₈O₇
Molecular Weight: 461.56g/mol
Mol File: 4724-58-7.mol
Boiling point: 363 °C at 760 mmHg
Flash Point: 107.1 °C
Enthalpy of Vaporization: 60.9 kJ/mol
Vapour Pressure: 1.86E-05 mmHg at 25°C
H-Bond Donor: 4
H-Bond Acceptor: 8
Canonical SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[NH+](C)C.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O
InChI: InChI=1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-
5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,
1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: MMMNTDFSPSQXJP-UHFFFAOYSA-N

2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate Toxicity Data With Reference

1.	dnd-esc 50 µmol/L	MUREAV Mutation Research. 89 (1981),95.
2.	ivn-rat LD50:26 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,373.
3.	ims-rat LD50:208 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,373.
4.	orl-mus LD50:150 mg/kg	29ZVAB Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,83.
5.	ivn-mus LD50:37 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,373.
6.	ivn-rbt LD50:22 mg/kg	IJNEAQ International Journal of Neuropharmacology. 5 (1966),305.

2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate Safety Profile

Poison by ingestion, intramuscular, and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x. See also ETHERS.

2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate Specification

2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate ,its CAS NO. is 4724-58-7,the synonyms is Benhexal ; N,N-Dimethyl-2-((o-methyl-alpha-phenyl-benzyl)oxy)-ethylamine citrate ; Ethanamine, N,N-dimethyl-2-((2-methylphenyl)phenylmethoxy)-, 2-hydroxy-1,2,3-propanetricarboxylate ; Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)-, citrate .

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