OCTYLAMINE HYDROCHLORIDE

The CAS registry number of 1-Octanamine,hydrochloride (1:1) is 142-95-0. The IUPAC name is octan-1-amine hydrochloride. Its EINECS registry number is 205-574-8. In addition, the molecular formula is C₈H₁₉N.ClH and the molecular weight is 165.70. It is a kind of white to almost white crystalline powder and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.06; (2)ACD/LogD (pH 5.5): -0.04; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.36; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 3.24 Å²; (12)Flash Point: 62.8 °C; (13)Enthalpy of Vaporization: 41.57 kJ/mol; (14)Boiling Point: 179.4 °C at 760 mmHg; (15)Vapour Pressure: 0.941 mmHg at 25°C.

Preparation of 1-Octanamine,hydrochloride (1:1): it can be prepared by N-octyl-4-methylbenzenesulfonamide. This reaction will need reagents K and dicyclohexyl-18-crown-6, and solvent bis-(2-methoxy-ethyl) ether. The reaction time is 3 hours with ambient temperature. The yield is about 60%.

Uses of 1-Octanamine,hydrochloride (1:1): it can react with 2-acetylamino-benzoic acid methyl ester to get 2-methyl-3-octyl-3H-quinazolin-4-one. This reaction will need reagents P₂O₅ and N,N-dimethylcyclohexylamine. The reaction time is 45 minutes at reaction temperature of 180 °C. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NCCCCCCCC
(2)InChI: InChI=1/C8H19N.ClH/c1-2-3-4-5-6-7-8-9;/h2-9H2,1H3;1H
(3)InChIKey: PHFDTSRDEZEOHG-UHFFFAOYAU