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59955-93-0

Basic Information
CAS No.: 59955-93-0
Name: 1-(2-DIISOPROPYLAMINOETHYL)PIPERAZINE
Article Data: 2
Molecular Structure:
Molecular Structure of 59955-93-0 (1-(2-DIISOPROPYLAMINOETHYL)PIPERAZINE)
Formula: C12H27N3
Molecular Weight: 213.366
Synonyms: 1-(2-Diisopropylaminoethyl)piperazine;N-(1-Methylethyl)-N-(2-piperazin-1-ylethyl)propan-2-amine;N-Isopropyl-N-[2-(piperazin-1-yl)ethyl]propan-2-amine;Diisopropyl-(2-piperazin-1-yl-ethyl)-amine;
Density: 0.895 g/cm3
Boiling Point: 258.9 °C at 760 mmHg
Flash Point: 91.2 °C
Hazard Symbols: IrritantXi
PSA: 18.51000
LogP: 1.27710
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Specification

The 1-Piperazineethanamine,N,N-bis(1-methylethyl)-, with the CAS registry number 59955-93-0, is also known as 1-(2-Diisopropylaminoethyl)piperazine. It belongs to the product category of Piperazines. The molecular formula of this chemical is C12H27N3 and molecular weight is 213.36. What's more, its systematic name is N-(1-Methylethyl)-N-(2-piperazin-1-ylethyl)propan-2-amine.

Physical properties of 1-Piperazineethanamine,N,N-bis(1-methylethyl)- are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.37; (4)ACD/LogD (pH 7.4): -2.2; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 66.12 cm3; (15)Molar Volume: 238.1 cm3; (16)Polarizability: 26.21×10-24 cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.895 g/cm3; (19)Flash Point: 91.2 °C; (20)Enthalpy of Vaporization: 49.65 kJ/mol; (21)Boiling Point: 258.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0134 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)N(CCN1CCNCC1)C(C)C
(2)InChI: InChI=1S/C12H27N3/c1-11(2)15(12(3)4)10-9-14-7-5-13-6-8-14/h11-13H,5-10H2,1-4H3
(3)InChIKey: IDWCYRNCJHGJAL-UHFFFAOYSA-N