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Basic Information
CAS No.: 78265-89-1
Name: 2-butylamino-N-(2-chloro-6-methyl-phenyl)hexanamide hydrochloride
Molecular Structure:
Molecular Structure of 78265-89-1 (2-butylamino-N-(2-chloro-6-methyl-phenyl)hexanamide hydrochloride)
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.