Basic Information | Post buying leads | Suppliers |
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 NOx. | 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; |
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
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. |
A poison by ingestion and intravenous routes. When heated to decomposition Isomethadone (CAS NO.466-40-0) emits toxic fumes of NOx.
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 .