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Basic Information
CAS No.: 78265-91-5
Name: N-(2-chloro-6-methyl-phenyl)-2-pyrrolidin-1-yl-hexanamide hydrochlorid e
Molecular Structure:
Molecular Structure of 78265-91-5 (N-(2-chloro-6-methyl-phenyl)-2-pyrrolidin-1-yl-hexanamide hydrochlorid e)
Formula: C17H25 Cl N2 O . Cl H
Molecular Weight: 361.35
Synonyms: 1-Pyrrolidineacetamide,a-butyl-N-(2-chloro-6-methylphenyl)-,monohydrochloride (9CI); 1-Pyrrolidineaceto-o-toluidide, a-butyl-6'-chloro-, hydrochloride(6CI)
Boiling Point: 439.9°C at 760 mmHg
Flash Point: 219.8°C
Safety: Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 32.34000
LogP: 5.05440
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Chemistry

Molecule structure of C 3206 (CAS NO.78265-91-5) :

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide hydrochloride 
Molecular Weight: 345.30714 g/mol
Molecular Formula: C17H26Cl2N2O
Boiling Point: 439.9 °C at 760 mmHg 
Flash Point: 219.8 °C
Enthalpy of Vaporization: 69.69 kJ/mol
Vapour Pressure: 6.15E-08 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 344.142219
MonoIsotopic Mass: 344.142219
Topological Polar Surface Area: 32.3
Heavy Atom Count: 22
Complexity: 331
Canonical SMILES: CCCCC(C(=O)NC1=C(C=CC=C1Cl)C)N2CCCC2.Cl
InChI: InChI=1S/C17H25ClN2O.ClH/c1-3-4-10-15(20-11-5-6-12-20)17(21)19-16-13(2)8-7-9-14(16)18;/h7-9,15H,3-6,10-12H2,1-2H3,(H,19,21);1H
InChIKey: VBQXRPCRKFUHOD-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 2% MOD

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),544.
2.    

ipr-rat LD50:42 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),544.
3.    

ipr-mus LD50:37 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),544.
4.    

scu-mus LD50:70 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),544.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

Specification

 C 3206 (CAS NO.78265-91-5) is also called 6'-Chloro-2-pyrrolidinyl-o-hexanotoluidide hydrochloride ; o-Hexanotoluidide, 6'-chloro-2-pyrrolidinyl-, hydrochloride . C 3206 (CAS NO.78265-91-5) 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 3206 (CAS NO.78265-91-5) separate from raw materials of food.