Basic Information | Post buying leads | Suppliers |
Name |
Pyrido[1,2-a][1,4]diazepin-5(2H)-one,octahydro- |
EINECS | N/A |
CAS No. | 1000577-67-2 | Density | 1.106 g/cm3 |
PSA | 32.34000 | LogP | 0.62750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H16N2O | Boiling Point | 314.228 °C at 760 mmHg |
Molecular Weight | 168.24 | Flash Point | 143.84 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Octahydropyrido[1,2-a][1,4]diazepin-5(2H)-one; |
The Pyrido[1, 2-a][1, 4]diazepin-5(2H)-one, octahydro-, with the CAS registry number 1000577-67-2, is also known as Octahydropyrido[1, 2-a][1, 4]diazepin-5(2H)-one. This chemical's molecular formula is C9H16N2O and molecular weight is 168.24. What's more, its IUPAC name is 2, 3, 4, 7, 8, 9, 10, 10a-Octahydro-1H-pyrido[1, 2-a][1, 4]diazepin-5-one.
Physical properties about Pyrido[1, 2-a][1, 4]diazepin-5(2H)-one, octahydro- are: (1)ACD/LogP: 0.08; (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): 2.239; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 32.34 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 47.257 cm3; (13)Molar Volume: 152.105 cm3; (14)Polarizability: 18.734×10-24 cm3; (15)Surface Tension: 42.841 dyne/cm; (16)Density: 1.106 g/cm3; (17)Flash Point: 143.84 °C; (18)Enthalpy of Vaporization: 55.537 kJ/mol; (19)Boiling Point: 314.228 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CCN2C(C1)CNCCC2=O
(2) InChI: InChI=1/C9H16N2O/c12-9-4-5-10-7-8-3-1-2-6-11(8)9/h8,10H,1-7H2
(3) InChIKey: VFOPBKHLYOFDNX-UHFFFAOYAV