CAS No.72547-44-5,4-(4-METHYL-PIPERAZIN-1-YL)-4-OXO-BUTYRIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72547-44-5
Name:	4-(4-METHYL-PIPERAZIN-1-YL)-4-OXO-BUTYRIC ACID
Article Data:	12

Formula:	C₉H₁₆N₂O₃
Molecular Weight:	200.238
Synonyms:	1-Piperazinebutyricacid, 4-methyl-g-oxo-(7CI);4-(4-Methylpiperazin-1-yl)-4-oxobutyric acid;N,N-(3-Methyl-3-azapentamethylene)succinamicacid;
Density:	1.195 g/cm³
Boiling Point:	393 °C at 760 mmHg
Flash Point:	191.5 °C
Hazard Symbols:	Xi
PSA:	60.85000
LogP:	-0.49900

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Specification

This chemical is called 4-(4-Methylpiperazin-1-yl)-4-oxobutanoic acid, and it can also be named as 1-Piperazinebutanoic acid, 4-methyl-γ-oxo-. With the molecular formula of C₉H₁₆N₂O₃, its molecular weight is 200.23. The CAS registry number of this chemical is 72547-44-5. Additionally, its product category is Piperazines.

Other characteristics of the 4-(4-Methylpiperazin-1-yl)-4-oxobutanoic acid can be summarised as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -2.03; (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: 3; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 50.32 cm³; (15)Molar Volume: 167.4 cm³; (16)Polarizability: 19.94×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.195 g/cm³; (19)Flash Point: 191.5 °C; (20)Enthalpy of Vaporization: 70.56 kJ/mol; (21)Boiling Point: 393 °C at 760 mmHg; (22)Vapour Pressure: 2.84E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N1CCN(C)CC1)CCC(=O)O
2.InChI: InChI=1/C9H16N2O3/c1-10-4-6-11(7-5-10)8(12)2-3-9(13)14/h2-7H2,1H3,(H,13,14)
3.InChIKey: NZTQZEIZMMJXFG-UHFFFAOYAR