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4-Piperidinamine,1-[(4-methoxyphenyl)sulfonyl]-, hydrochloride (1:1) (442124-65-4)

Identification
Name:4-Piperidinamine,1-[(4-methoxyphenyl)sulfonyl]-, hydrochloride (1:1)
Synonyms:4-Piperidinamine,1-[(4-methoxyphenyl)sulfonyl]-, monohydrochloride (9CI); 4-Amino-1-(4-methoxyphenylsulfonyl)piperidinehydrochloride
CAS:442124-65-4
Molecular Formula: C12H18 N2 O3 S . Cl H
Molecular Weight: 306.80886
InChI: InChI=1/C12H18N2O3S/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
Molecular Structure: (C12H18N2O3S.ClH) 4-Piperidinamine,1-[(4-methoxyphenyl)sulfonyl]-, monohydrochloride (9CI); 4-Amino-1-(4-methoxyphenyl...
Properties
Flash Point: 210.3°C
Boiling Point: 424°C at 760 mmHg
Density:1.249g/cm3
Refractive index:1.565
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

Flash Point: 210.3°C
Safety Data
 

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