Basic information
- Name:
Benzenepropanamine,N-methyl-g-(2-methylphenoxy)-,hydrochloride (1:1), (gR)-
- Superlist Name:
- Atomoxetine hydrochloride
- CAS No.:
82248-59-7
- Molecular Structure:
- Formula:
- C17H22ClNO
- Molecular Weight:
- 291.82
- Synonyms:
- Benzenepropanamine,N-methyl-g-(2-methylphenoxy)-,hydrochloride, (R)-;Benzenepropanamine, N-methyl-g-(2-methylphenoxy)-, hydrochloride, (gR)- (9CI);(R)-(-)-N-Methyl-3-[(2-methylphenyl)oxy]-3-phenyl-1-aminopropane hydrochloride;(R)-(-)-Tomoxetine hydrochloride;(R)-N-Methyl-3-(2-methylphenoxy)-3-phenylpropylamine hydrochloride;(R)-Tomoxetine hydrochloride;Atomoxetine hydrochloride;LY 139603;Strattera;Tomoxetine hydrochloride;(3R)-N-Methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine hydrochloride (1:1);(3R)-N-méthyl-3-(2-méthylphénoxy)-3-phénylpropan-1-amine chlorhydrate;benzenepropanamine, N-methyl-γ-(2-methylphenoxy)-, (gammaR)-, hydrochloride;Atomoxetine HCL;
- Boiling Point:
- 389 °C at 760 mmHg
- Flash Point:
- 164.1 °C
- Appearance:
- solid
- Safety Description:
- 22-24/25 Details
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Specification
The Atomoxetine hydrochloride, with the CAS registry number 82248-59-7, has the systematic name of (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine hydrochloride (1:1). And the molecular formula of this chemical is C17H22ClNO. What's more, it should be stored at 2-8°C. In addition, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes. And it is often used as norepinephrine reuptake inhibitor.
The physical properties of Atomoxetine hydrochloride are as following: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 3.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å2; (13)Flash Point: 164.1 °C; (14)Enthalpy of Vaporization: 63.82 kJ/mol; (15)Boiling Point: 389 °C at 760 mmHg; (16)Vapour Pressure: 2.95E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccccc1C)[C@@H](c2ccccc2)CCNC
(2)InChI: InChI=1/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1
(3)InChIKey: LUCXVPAZUDVVBT-UNTBIKODBW
