1-Piperazineaceticacid, 4-methyl-a-oxo- supplier

Name
2-(4-METHYL-PIPERAZIN-1-YL)-2-OXO-ACETIC ACID
EINECS
CAS No. 717904-36-4
Density 1.28 g/cm³
Solubility
Melting Point 195-196 °C
Formula C₇H₁₂N₂O₃
Boiling Point 301.5 °C at 760 mmHg
Molecular Weight 172.18
Flash Point 136.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Methyl-piperazin-1-yl)-2-oxo-acetic acid;(4-Methylpiperazin-1-yl)(oxo)acetic acid;
PSA 60.85000
LogP -1.27920

1-Piperazineaceticacid, 4-methyl-a-oxo- Specification

The 1-Piperazineaceticacid, 4-methyl-a-oxo-, with the CAS registry number 717904-36-4, is also known as 2-(4-Methyl-piperazin-1-yl)-2-oxo-acetic acid. It belongs to the product category of Piperazines. This chemical's molecular formula is C₇H₁₂N₂O₃ and molecular weight is 172.18. What's more, its systematic name is (4-Methylpiperazin-1-yl)(oxo)acetic acid.

Physical properties of 1-Piperazineaceticacid, 4-methyl-a-oxo- are: (1)ACD/LogP: -1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.14; (4)ACD/LogD (pH 7.4): -4.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.61 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 41.05 cm³; (15)Molar Volume: 134.4 cm³; (16)Polarizability: 16.27×10^-24 cm³; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 136.1 °C; (20)Enthalpy of Vaporization: 59.58 kJ/mol; (21)Boiling Point: 301.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000245 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCN(CC1)C(=O)C(=O)O
(2)InChI: InChI=1S/C7H12N2O3/c1-8-2-4-9(5-3-8)6(10)7(11)12/h2-5H2,1H3,(H,11,12)
(3)InChIKey: QRHXDMKVURFNSW-UHFFFAOYSA-N

Product Name

2-(4-METHYL-PIPERAZIN-1-YL)-2-OXO-ACETIC ACID

1-Piperazineaceticacid, 4-methyl-a-oxo- Specification

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