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1-(4-Methoxybenzenesulfonyl)piperidin-4-ylamine hydrochloride

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Name

1-(4-Methoxybenzenesulfonyl)piperidin-4-ylamine hydrochloride

EINECS N/A
CAS No. 442124-65-4 Density 1.249g/cm3
PSA 81.01000 LogP 3.32800
Solubility N/A Melting Point N/A
Formula C12H18N2O3S.HCl Boiling Point 450 °C at 760 mmHg
Molecular Weight 306.813 Flash Point 225.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 442124-65-4 (1-(4-METHOXY-BENZENESULFONYL)-PIPERIDIN-4-YLAMINE HCL) Hazard Symbols N/A
Synonyms

4-Piperidinamine,1-[(4-methoxyphenyl)sulfonyl]-, monohydrochloride (9CI);4-Amino-1-(4-methoxyphenylsulfonyl)piperidinehydrochloride;

 

1-(4-Methoxybenzenesulfonyl)piperidin-4-ylamine hydrochloride Specification

The 1-(4-Methoxybenzenesulfonyl)piperidin-4-ylamine hydrochloride with the CAS number 442124-65-4 is also called 4-Piperidinamine,1-[(4-methoxyphenyl)sulfonyl]-, hydrochloride (1:1). Its molecular formula is C12H18N2O3S.HCl. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.64; (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): 2; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 81.01 Å2; (11)Enthalpy of Vaporization: 72.24 kJ/mol; (12)Vapour Pressure: 1.68×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NC1CCN(CC1)S(=O)(=O)c2ccc(OC)cc2
(2)InChI: InChI=1/C12H18N2O3S.ClH/c1-17-11-2-4-12(5-3-11)18(15,16)14-8-6-10(13)7-9-14;/h2-5,10H,6-9,13H2,1H3;1H
(3)InChIKey: JBOAONOCEONKOZ-UHFFFAOYAG

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