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Name	Isomethadone	EINECS	N/A
CAS No.	466-40-0	Density	1.009g/cm³
PSA	20.31000	LogP	4.14950
Solubility	N/A	Melting Point	25°C
Formula	C₂₁H₂₇NO	Boiling Point	423.7°Cat760mmHg
Molecular Weight	309.451	Flash Point	126.5°C
Transport Information	N/A	Appearance	N/A
Safety	A poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	(+-)-6-dimethylamino-5-methyl-4,4-diphenyl-hexan-3-one;1-Dimethylamino-2-methyl-3,3-diphenyl-hexan-4-on;1-Decyl-2,5-dimethylpiperazine dihydrochloride;(+-)-1-Dimethylamino-2-methyl-3.3-diphenyl-hexanon-(4);(+-)-1-Decyl-2r,5t-dimethyl-piperazin,Hydrochlorid;6-Dimethylamino-5-methyl-4.4-diphenyl-hexan-3-on;Isomethadon;(+-)-1-decyl-2r,5t-dimethyl-piperazine,hydrochloride;isomethadone;Piperazine,1-decyl-2,5-dimethyl-,dihydrochloride;

Isomethadone Chemical Properties

Empirical Formula of Isomethadone (CAS NO.466-40-0): C₂₁H₂₇NO
Molecular Weight: 309.4452 g/mol
Index of Refraction: 1.538
Density: 1.009 g/cm³
Flash Point: 126.5 °C
Enthalpy of Vaporization: 67.8 kJ/mol
Boiling Point: 423.7 °C at 760 mmHg
Vapour Pressure: 2.2E-07 mmHg at 25 °C
Structure of Isomethadone (CAS NO.466-40-0):

IUPAC Name: 6-(Dimethylamino)-5-methyl-4,4-diphenylhexan-3-one
Canonical SMILES: CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C
InChI: InChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey: IFKPLJWIEQBPGG-UHFFFAOYSA-N

Isomethadone Toxicity Data With Reference

1.		orl-mus LD50:400 mg/kg		AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 120 (1959),450.
2.		ivn-mus LD50:17 mg/kg		SCIEAS Science. 104 (1946),587.

Isomethadone Safety Profile

A poison by ingestion and intravenous routes. When heated to decomposition Isomethadone (CAS NO.466-40-0) emits toxic fumes of NO_x.

Isomethadone Specification

Isomethadone , its cas register number is 466-40-0. It also can be called Isoamidone II ; 3-Hexanone, 6-(dimethylamino)-4,4-diphenyl-5-methyl- ; and 6-Dimethylamino-5-methyl-4,4-diphenyl-3-hexanone .