1-Piperazinepropanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]- supplier

Name
3-(1-TERT-BUTOXYCARBONYLPIPERAZIN-4-YL)PROPIONIC ACID
EINECS
CAS No. 242459-97-8
Article Data2
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point 138 °C
Formula C₁₂H₂₂N₂O₄
Boiling Point 372.923 °C at 760 mmHg
Molecular Weight 258.318
Flash Point 179.338 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms 3-[1-(tert-Butoxycarbonyl)piperazin-4-yl]propionicacid;3-[4-(tert-Butoxycarbonyl)-1-piperazinyl]propanoic acid;N-(2-Carboxyethyl)-N'-(tert-butoxycarbonyl)piperazine;
PSA 70.08000
LogP 0.88960

1-Piperazinepropanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]- Specification

The 1-Piperazinepropanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]-, with the CAS registry number 242459-97-8, is also known as 2-(1-tert-Butoxycarbonylpiperazin-4-yl)propionic acid. It belongs to the product categories of Carboxylic Acids; Pyrans, Piperidines & Piperazines; Carboxylic Acids; Pyrans, Piperidines & Piperazines; Piperazines. This chemical's molecular formula is C₁₂H₂₂N₂O₄ and molecular weight is 258.31408. Its IUPAC name is called 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1-Piperazinepropanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]-: (1)ACD/LogP: 1.77; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.523; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.503; (10)Molar Refractivity: 65.824 cm³; (11)Molar Volume: 222.496 cm³; (12)Surface Tension: 44.823 dyne/cm; (13)Density: 1.161 g/cm³; (14)Flash Point: 179.338 °C; (15)Enthalpy of Vaporization: 68.099 kJ/mol; (16)Boiling Point: 372.923 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)O)N1CCN(CC1)C(=O)OC(C)(C)C
(2)InChI: InChI=1S/C12H22N2O4/c1-9(10(15)16)13-5-7-14(8-6-13)11(17)18-12(2,3)4/h9H,5-8H2,1-4H3,(H,15,16)
(3)InChIKey: ZCGDPFOTLCUUFB-UHFFFAOYSA-N

Product Name

3-(1-TERT-BUTOXYCARBONYLPIPERAZIN-4-YL)PROPIONIC ACID

1-Piperazinepropanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]- Specification

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