Name: 1-BENZYL-3-OXOPIPERAZINE
SKU: 13754-41-1

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Basic Information

Molecular Structure:
CAS No.:	13754-41-1
Name:	1-BENZYL-3-OXOPIPERAZINE
Article Data:	5

Formula:	C₁₁H₁₄N₂O
Molecular Weight:	190.245
Synonyms:	Piperazinone, 4-(phenylmethyl)- (9CI);1-Benzylpiperazin-3-one;4-(Phenylmethyl)-2-piperazinone;4-Benzyl-2-piperazinone;2-Piperazinone,4-benzyl- (8CI);4-Benzylpiperazin-2-one;1-Benzyl-3-oxopiperazine;
Density:	1.13 g/cm³
Melting Point:	148-155 °C
Boiling Point:	366.617 °C at 760 mmHg
Flash Point:	175.524 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-39
PSA:	32.34000
LogP:	0.88510

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Specification

The 2-Piperazinone,4-(phenylmethyl)-, with the CAS registry number 13754-41-1, is also known as 1-Benzyl-3-oxopiperazine. It belongs to the product categories of Pharmacetical; Piperazines. This chemical's molecular formula is C₁₁H₁₄N₂O and molecular weight is 190.24. What's more, its systematic name is 4-Benzylpiperazin-2-one.

Physical properties of 2-Piperazinone,4-(phenylmethyl)- are: (1)ACD/LogP: 0.98; (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): 14; (6)ACD/KOC (pH 7.4): 18; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.34 Å²; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 54.659 cm³; (13)Molar Volume: 168.349 cm³; (14)Polarizability: 21.668×10^-24cm³; (15)Surface Tension: 44.259 dyne/cm; (16)Density: 1.13 g/cm³; (17)Flash Point: 175.524 °C; (18)Enthalpy of Vaporization: 61.305 kJ/mol; (19)Boiling Point: 366.617 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CC(=O)N1)CC2=CC=CC=C2
(2)InChI: InChI=1S/C11H14N2O/c14-11-9-13(7-6-12-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
(3)InChIKey: SBWVHKNCFZRBRJ-UHFFFAOYSA-N