Basic Information | Post buying leads | Suppliers |
Name |
Methanone, (hexahydro-1H-azepin-1-yl)-3-piperidinyl- |
EINECS | N/A |
CAS No. | 690632-28-1 | Density | 1.025 g/cm3 |
PSA | 32.34000 | LogP | 1.65530 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H22N2O | Boiling Point | 365.8 °C at 760 mmHg |
Molecular Weight | 210.32 | Flash Point | 175 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
1H-Azepine,hexahydro-1-(3-piperidinylcarbonyl)- (9CI); |
This chemical is called Methanone, (hexahydro-1H-azepin-1-yl)-3-piperidinyl-, and its systematic name is 1-(piperidin-3-ylcarbonyl)azepane. With the molecular formula of C12H22N2O, its molecular weight is 210.32. The CAS registry number of this chemical is 690632-28-1.
Other characteristics of the Methanone, (hexahydro-1H-azepin-1-yl)-3-piperidinyl- can be summarised as followings: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.55; (4)ACD/LogD (pH 7.4): -1.13; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 60.21 cm3; (15)Molar Volume: 205 cm3; (16)Polarizability: 23.87×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.025 g/cm3; (19)Flash Point: 175 °C; (20)Enthalpy of Vaporization: 61.21 kJ/mol; (21)Boiling Point: 365.8 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N1CCCCCC1)C2CNCCC2
2.InChI: InChI=1/C12H22N2O/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14/h11,13H,1-10H2
3.InChIKey: RXLCUJOYUJWMPG-UHFFFAOYAF