1-Benzyl-3-oxopiperazin supplier

Name
1-BENZYL-3-OXOPIPERAZINE
EINECS
CAS No. 13754-41-1
Article Data5
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point 148-155 °C
Formula C₁₁H₁₄N₂O
Boiling Point 366.617 °C at 760 mmHg
Molecular Weight 190.245
Flash Point 175.524 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
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;
PSA 32.34000
LogP 0.88510

1-Benzyl-3-oxopiperazin 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

Product Name

1-BENZYL-3-OXOPIPERAZINE

1-Benzyl-3-oxopiperazin Specification

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