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3312-58-1

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Basic Information
CAS No.: 3312-58-1
Name: piperazine-1,4-dimethanol
Molecular Structure:
Molecular Structure of 3312-58-1 (piperazine-1,4-dimethanol)
Formula: C6H14N2O2
Molecular Weight: 146.189
Synonyms: N,N'-Dimethylolpiperazine;
EINECS: 222-000-1
Density: 1.162 g/cm3
Boiling Point: 260.5 °C at 760 mmHg
Flash Point: 135.8 °C
PSA: 46.94000
LogP: -1.62060
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Specification

The 1,4-Piperazinedimethanol, with the CAS registry number 3312-58-1, is also known as N,N'-Dimethylolpiperazine. Its EINECS registry number is 222-000-1. This chemical's molecular formula is C6H14N2O2 and molecular weight is 146.18756. Its systematic name is called piperazine-1,4-diyldimethanol.

Physical properties of 1,4-Piperazinedimethanol: (1)ACD/LogP: -1.52; (2)ACD/LogD (pH 5.5): -1.74; (3)ACD/LogD (pH 7.4): -1.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.12; (7)ACD/KOC (pH 7.4): 3.51; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 38.03 cm3; (13)Molar Volume: 125.7 cm3; (14)Surface Tension: 45.9 dyne/cm; (15)Density: 1.162 g/cm3; (16)Flash Point: 135.8 °C; (17)Enthalpy of Vaporization: 57.86 kJ/mol; (18)Boiling Point: 260.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00177 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCN1CCN(CO)CC1
(2)InChI: InChI=1/C6H14N2O2/c9-5-7-1-2-8(6-10)4-3-7/h9-10H,1-6H2
(3)InChIKey: NQEQVKVMCQIFFB-UHFFFAOYAB