10105-90-5

The 1-Propanone,2-(dimethylamino)-1-phenyl-, hydrochloride (1:1), with the CAS registry number 10105-90-5, is also known as 2-(Dimethylamino)propiophenone hydrochloride. Its EINECS registry number is 233-289-9. This chemical's molecular formula is C₁₁H₁₆ClNO and molecular weight is 213.092042. Its IUPAC name is called 2-(dimethylamino)-1-phenylpropan-1-one hydrochloride.

Physical properties of 1-Propanone,2-(dimethylamino)-1-phenyl-, hydrochloride (1:1): (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8.07; (7)ACD/KOC (pH 5.5): 3.39; (8)ACD/KOC (pH 7.4): 127.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 84.9 °C; (13)Enthalpy of Vaporization: 49.41 kJ/mol; (14)Boiling Point: 256.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0152 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)C1=CC=CC=C1)N(C)C.Cl
(2)InChI: InChI=1S/C11H15NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H
(3)InChIKey: APOWZIQNQJSLKG-UHFFFAOYSA-N