1-Boc-3-oxopiperazine supplier

Name
1-Boc-3-oxopiperazine
EINECS
CAS No. 76003-29-7
Article Data51
CAS DataBase
Density 1.129 g/cm³
Solubility
Melting Point 156-160 °C(lit.)
Formula C₉H₁₆N₂O₃
Boiling Point 359.1 °C at 760 mmHg
Molecular Weight 200.238
Flash Point 171 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,1-Dimethylethyl3-oxo-1-piperazinecarboxylate;1-(tert-Butoxycarbonyl)piperazin-3-one;1-tert-Butoxycarbonyl-3-oxopiperazine;2-Oxo-4-(tert-butoxycarbonyl)piperazine;3-Oxopiperazine-1-carboxylic acid tert-butyl ester;4-(tert-Butyloxycarbonyl)-2-piperazinone;4-Boc-2-oxopiperazine;4-tert-Butoxycarbonylpiperazin-2-one;
PSA 58.64000
LogP 0.62000

1-Boc-3-oxopiperazine Specification

The 1-Boc-3-oxopiperazine, with the CAS registry number 76003-29-7, is also known as 3-Oxopiperazine-1-carboxylic acid tert-butyl ester. It belongs to the product categories of Pharmacetical; Building Blocks; Heterocyclic Building Blocks; Piperazines. This chemical's molecular formula is C₉H₁₆N₂O₃ and molecular weight is 200.23. Its IUPAC name is called tert-butyl 3-oxopiperazine-1-carboxylate. It should be stored in sealed containers and placed in a cool, dry place and stored away from oxidizing agents.

Physical properties of 1-Boc-3-oxopiperazine: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.29; (8)ACD/KOC (pH 7.4): 6.29; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.479; (13)Molar Refractivity: 50.3 cm³; (14)Molar Volume: 177.2 cm³; (15)Surface Tension: 38.8 dyne/cm; (16)Density: 1.129 g/cm³; (17)Flash Point: 171 °C; (18)Enthalpy of Vaporization: 60.46 kJ/mol; (19)Boiling Point: 359.1 °C at 760 mmHg; (20)Vapour Pressure: 2.44E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(=O)C1
(2)InChI: InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
(3)InChIKey: FCMLWBBLOASUSO-UHFFFAOYSA-N

Product Name

1-Boc-3-oxopiperazine

1-Boc-3-oxopiperazine Specification

Related Products

Hot Products