Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
4-Piperidinamine,1-[(4-methoxyphenyl)sulfonyl]-, monohydrochloride (9CI);4-Amino-1-(4-methoxyphenylsulfonyl)piperidinehydrochloride; |
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