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| CAS No.: | 78265-89-1 |
|---|---|
| Name: | 2-butylamino-N-(2-chloro-6-methyl-phenyl)hexanamide hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C17H27 Cl N2 O . Cl H |
| Molecular Weight: | 347.37 |
| Synonyms: | Hexanamide,2-(butylamino)-N-(2-chloro-6-methylphenyl)-, monohydrochloride (9CI);o-Hexanotoluidide, 2-butylamino-6'-chloro-, hydrochloride (6CI) |
| Boiling Point: | 435.9°C at 760 mmHg |
| Flash Point: | 217.4°C |
| Safety: | Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx. |
| PSA: | 41.13000 |
| LogP: | 5.80130 |
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Chemistry
Molecule structure of C 3207 (CAS NO.78265-89-1) :
IUPAC Name: 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide hydrochloride
Molecular Weight: 347.32302 g/mol
Molecular Formula: C17H28Cl2N2O
Boiling Point: 435.9 °C at 760 mmHg
Flash Point: 217.4 °C
Enthalpy of Vaporization: 69.23 kJ/mol
Vapour Pressure: 8.44E-08 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 9
Tautomer Count: 2
Exact Mass: 346.157869
MonoIsotopic Mass: 346.157869
Topological Polar Surface Area: 41.1
Heavy Atom Count: 22
Complexity: 299
Canonical SMILES: CCCCC(C(=O)NC1=C(C=CC=C1Cl)C)NCCCC.Cl
InChI: InChI=1S/C17H27ClN2O.ClH/c1-4-6-11-15(19-12-7-5-2)17(21)20-16-13(3)9-8-10-14(16)18;/h8-10,15,19H,4-7,11-12H2,1-3H3,(H,20,21);1H
InChIKey: NWCGVHWYNMIOCJ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | eye-rbt 2% SEV | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),544. | ||
| 2. | ipr-rat LD50:33 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),544. | ||
| 3. | scu-mus LD50:210 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),544. |
Safety Profile
Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Specification
C 3207 (CAS NO.78265-89-1) is also named as 2-(Butylamino)-6'-chloro-o-hexanotoluidide hydrochloride ; o-Hexanotoluidide, 2-(butylamino)-6'-chloro-, hydrochloride . C 3207 (CAS NO.78265-89-1) is high toxic. It will produce toxic nitrogen oxides and chlorine fumes by heat. So the storage environment should be ventilate, low-temperature and dry. Keep C 3207 (CAS NO.78265-89-1) separate from raw materials of food.