Hexahydro-1-(4-piperidinyl)-5H-1,4-diazepin-5-one supplier

Name
1-(PIPERIDIN-4-YL)-1,4-DIAZEPAN-5-ONE
EINECS
CAS No. 344779-09-5
Density 1.073 g/cm³
Solubility
Melting Point
Formula C10H19 N3 O
Boiling Point 384.88 °C at 760 mmHg
Molecular Weight 197.28
Flash Point 186.569 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Piperidin-4-yl)-[1,4]diazepan-5-one;
PSA 44.37000
LogP 0.15580

Hexahydro-1-(4-piperidinyl)-5H-1,4-diazepin-5-one Specification

The Hexahydro-1-(4-piperidinyl)-5H-1,4-diazepin-5-one with its cas register number is 344779-09-5. It also can be called as 5H-1,4-Diazepin-5-one,hexahydro-1-(4-piperidinyl)- and the Systematic name about this chemical is 1-(piperidin-4-yl)-1,4-diazepan-5-one.

Physical properties about Hexahydro-1-(4-piperidinyl)-5H-1,4-diazepin-5-one are: (1)ACD/LogP: -1.61; (2)ACD/LogD (pH 5.5):; (3)ACD/LogD (pH 7.4):; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.37Å²; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 54.554 cm³; (14)Molar Volume: 183.923 cm³; (15)Polarizability: 21.627x10^-24cm³; (16)Surface Tension: 38.277 dyne/cm; (17)Enthalpy of Vaporization: 63.361 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCN(CCN1)C2CCNCC2
(2)InChI: InChI=1/C10H19N3O/c14-10-3-7-13(8-6-12-10)9-1-4-11-5-2-9/h9,11H,1-8H2,(H,12,14)
(3)InChIKey: SJFGTKYMEANZJW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H19N3O/c14-10-3-7-13(8-6-12-10)9-1-4-11-5-2-9/h9,11H,1-8H2,(H,12,14)
(5)Std. InChIKey: SJFGTKYMEANZJW-UHFFFAOYSA-N

Product Name

1-(PIPERIDIN-4-YL)-1,4-DIAZEPAN-5-ONE

Hexahydro-1-(4-piperidinyl)-5H-1,4-diazepin-5-one Specification

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