Home >> Chemicals Listing >> hot product list by 1  

1-Piperazineaceticacid, a-methyl-3,5-dioxo-, (aS)- (244161-09-9)

Identification
Name:1-Piperazineaceticacid, a-methyl-3,5-dioxo-, (aS)-
CAS:244161-09-9
Molecular Formula: C7H10N2O4
Molecular Weight: 186.17
InChI: InChI=1/C7H10N2O4/c1-4(7(12)13)9-2-5(10)8-6(11)3-9/h4H,2-3H2,1H3,(H,12,13)(H,8,10,11)/t4-/m0/s1
Molecular Structure: (C7H10N2O4) 1-piperazineacetic acid, α-methyl-3,5-dioxo-, (alphaS)-;
Properties
Density:1.396
Refractive index:1.528
Specification:

The (S)-2-(3,5-Dioxopiperazin-1-yl)propanoic acid, with cas registry number 244161-09-9, belongs to the following product categories: PIPERIDINE. It has the systematic name of 1-piperazineacetic acid, α-methyl-3,5-dioxo-, (alphaS)-. And it is also called 1-piperazineacetic acid, α-methyl-3,5-dioxo-, (alphaS)-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 86.71 Å2; (10)Index of Refraction: 1.528; (11)Molar Refractivity: 41.05 cm3; (12)Molar Volume: 133.2 cm3; (13)Polarizability: 16.27×10-24cm3; (14)Surface Tension: 56.7 dyne/cm; (15)Enthalpy of Vaporization: 76.58 kJ/mol; (16)Vapour Pressure: 5.12E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: C[C@@H](C(=O)O)N1CC(=O)NC(=O)C1
(2)InChI: InChI=1/C7H10N2O4/c1-4(7(12)13)9-2-5(10)8-6(11)3-9/h4H,2-3H2,1H3,(H,12,13)(H,8,10,11)/t4-/m0/s1
(3)InChIKey: XEZFZJLURKGGTO-BYPYZUCNBE
(4)Std. InChI: InChI=1S/C7H10N2O4/c1-4(7(12)13)9-2-5(10)8-6(11)3-9/h4H,2-3H2,1H3,(H,12,13)(H,8,10,11)/t4-/m0/s1
(5)Std. InChIKey: XEZFZJLURKGGTO-BYPYZUCNSA-N

Safety Data
 

Other Product