Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(tert-Butyl)piperidine hydrochloride |
EINECS | N/A |
CAS No. | 69682-13-9 | Density | N/A |
PSA | 12.03000 | LogP | 3.16290 |
Solubility | N/A | Melting Point |
302 °C |
Formula | C9H20ClN | Boiling Point | 179.7 °C at 760 mmHg |
Molecular Weight | 177.717 | Flash Point | 54.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(TERT-BUTYL)PIPERIDINE HYDROCHLORIDE;4-(Tert-butyl)piperidineHCl;Piperidine, 4-(1,1-dimethylethyl)-, hydrochloride (1:1) |
Article Data | 3 |
The 4-(tert-Butyl)piperidine hydrochloride, with the CAS registry number 69682-13-9, is also named as piperidine, 4-(1,1-dimethylethyl)-, hydrochloride (1:1). Moreover, its molecular formula is C9H20ClN and its molecular weight is 177.71.
Other characteristics of the 4-(tert-Butyl)piperidine hydrochloride can be summarised as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 54.9 °C; (14)Enthalpy of Vaporization: 41.59 kJ/mol; (15)Boiling Point: 179.7 °C at 760 mmHg; (16)Vapour Pressure: 0.931 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.N1CCC(C(C)(C)C)CC1
2.InChI: InChI=1/C9H19N.ClH/c1-9(2,3)8-4-6-10-7-5-8;/h8,10H,4-7H2,1-3H3;1H
3.InChIKey: RWQQDIHTYQYXDX-UHFFFAOYAQ