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222637-85-6

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Basic Information
CAS No.: 222637-85-6
Name: 4-ISOPROPOXY-PHENYLAMINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 222637-85-6 (4-ISOPROPOXY-PHENYLAMINE HYDROCHLORIDE)
Formula: C9H14ClNO
Molecular Weight: 187.669
Synonyms: Benzenamine, 4-(1-methylethoxy)-, hydrochloride (1:1);
Boiling Point: 290.4 °C at 760 mmHg
Flash Point: 129.5 °C
Hazard Symbols: IrritantXi
PSA: 35.25000
LogP: 3.43920
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Specification

The 4-Isopropoxyaniline Hydrochloride, with the CAS registry number of 222637-85-6, is also known as Benzenamine, 4-(1-methylethoxy)-, hydrochloride (1:1). Its molecular formula is C9H14ClNO and molecular weight is 187.66656. What's more, its IUPAC name is 4-Propan-2-yloxyaniline hydrochloride.

Physical properties about the 4-Isopropoxyaniline Hydrochloride are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 1.6; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 35.25 Å2; (9)Flash Point: 129.5 °C; (10)Enthalpy of Vaporization: 54.04 kJ/mol; (11)Boiling Point: 290.4 °C at 760 mmHg; (12)Vapour Pressure: 0.00157 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.CC(C)Oc1ccc(N)cc1
(2) InChI: InChI=1/C9H13NO.ClH/c1-7(2)11-9-5-3-8(10)4-6-9;/h3-7H,10H2,1-2H3;1H
(3) InChIKey: YCCQIOBEVPAFOF-UHFFFAOYAS