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| CAS No.: | 101651-36-9 |
|---|---|
| Name: | 2-methyl-1-(2-{methyl[1-(2,4,6-trimethylphenoxy)propan-2-yl]amino}-2-oxoethyl)piperidinium chloride |
| Molecular Structure: | |
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| Formula: | C21H34 N2 O2 . Cl H |
| Molecular Weight: | 383.03 |
| Synonyms: | 1-Piperidineacetamide,N,2-dimethyl-N-[1-methyl-2-(2,4,6-trimethylphenoxy)ethyl]-, monohydrochloride(9CI) |
| Density: | g/cm3 |
| Boiling Point: | 469°Cat760mmHg |
| Flash Point: | 237.5°C |
| Safety: | Poison by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. |
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Chemistry
Product Name: N-(1-Mesityloxy-2-propyl)-N-methyl-2-(2-methylpiperidino)acetamide hydrochloride (CAS NO.101651-36-9)
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Molecular Formula: C21H34N2O2•ClH
Molecular Weight: 382.9678g/mol
Mol File: 101651-36-9.mol
Boiling point: 469 °C at 760 mmHg
Flash Point: 237.5 °C
Enthalpy of Vaporization: 73.13 kJ/mol
Vapour Pressure: 5.69E-09 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of N-(1-Mesityloxy-2-propyl)-N-methyl-2-(2-methylpiperidino)acetamide hydrochloride (CAS NO.101651-36-9):
IUPAC Name: N-methyl-2-(2-methylpiperidin-1-ium-1-yl)-N-[1-(2,4,6-trimethylphenoxy)propan-2-yl]acetamide chloride
Canonical SMILES: CC1CCCC[NH+]1CC(=O)N(C)C(C)COC2=C(C=C(C=C2C)C)C.[Cl-]
InChI: InChI=1S/C21H34N2O2.ClH/c1-15-11-16(2)21(17(3)12-15)25-14-19(5)22(6)20(24)13-23-10-8-7-9-18(23)4;/h11-12,18-19H,7-10,13-14H2,1-6H3;1H
InChIKey: BQSCLMKEJIQCFR-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),70. | ||
| 2. | scu-mus LD50:150 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),70. |
Safety Profile
Poison by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Specification
N-(1-Mesityloxy-2-propyl)-N-methyl-2-(2-methylpiperidino)acetamide hydrochloride ,its CAS NO. is 101651-36-9,the synonyms is C 2048 ; Acetamide, N-(1-mesityloxy-2-propyl)-N-methyl-2-(2-methylpiperidino)-, hydrochloride .