2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride supplier

Name
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
EINECS
CAS No. 42036-65-7
Article Data8
CAS DataBase
Density 0.944 g/cm3
Solubility soluble in water
Melting Point 147-151 °C
Formula C₉H₁₇NO^.HCl
Boiling Point 222.3 °C at 760 mmHg
Molecular Weight 191.701
Flash Point 70.2 °C
Transport Information
Appearance white crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanone,2-[(dimethylamino)methyl]-, hydrochloride (6CI,7CI,9CI);2-[(Dimethylamino)methyl]cyclohexanonehydrochloride;Dimethyl((2-oxocyclohexyl)methyl)ammonium chloride;NSC 12467;NSC 620461;
PSA 20.31000
LogP 2.10930

2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride Specification

The 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride with cas registry number of 42036-65-7, belongs to the following product categories: (1)Aminomethyl's; (2)Ring Systems. It has the systematic name of 2-[(dimethylamino)methyl]cyclohexanone hydrochloride (1:1). When you use this chemical, avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.64; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 20.31 Å²; (11)Enthalpy of Vaporization: 45.88 kJ/mol; (12)Vapour Pressure: 0.102 mmHg at 25°C.

Preparation: this chemical can be prepared by Dimethylmethylenammonium chloride and cyclohexanone. This reaction will need reagent CH2Cl2. The reaction time is 16 hour(s). The yield is about 88%.

Uses of p-Chloropropiophenone: it can be used to produce 2-dimethylaminomethyl-cyclohexanone oxime. This reaction will need reagent hydroxylamine hydrochloride, K2CO3 and solvent H2O. The reaction time is 3 hour(s). The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C1CCCCC1CN(C)C;
(2)InChI: InChI=1/C9H17NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h8H,3-7H2,1-2H3;1H;
(3)InChIKey: CLVHTSWMNNSUSH-UHFFFAOYAG;
(4)Std. InChI: InChI=1S/C9H17NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h8H,3-7H2,1-2H3;1H;
(5)Std. InChIKey: CLVHTSWMNNSUSH-UHFFFAOYSA-N

Product Name

2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride

2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride Specification

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