Pyrido[1,2-a][1,4]diazepin-5(2H)-one,octahydro- supplier

Name
octahydropyrido[1,2-a][1,4]diazepin-5(7H)-one
EINECS
CAS No. 1000577-67-2
Density 1.106 g/cm³
Solubility
Melting Point
Formula C₉H₁₆N₂O
Boiling Point 314.228 °C at 760 mmHg
Molecular Weight 168.24
Flash Point 143.84 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Octahydropyrido[1,2-a][1,4]diazepin-5(2H)-one;
PSA 32.34000
LogP 0.62750

Pyrido[1,2-a][1,4]diazepin-5(2H)-one,octahydro- Specification

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

Product Name

octahydropyrido[1,2-a][1,4]diazepin-5(7H)-one

Pyrido[1,2-a][1,4]diazepin-5(2H)-one,octahydro- Specification

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