CAS No.140447-78-5,1-(2-N-Boc-Aminoethyl)piperazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	140447-78-5
Name:	1-(2-N-Boc-Aminoethyl)piperazine

Formula:	C₁₁H₂₃N₃O₂
Molecular Weight:	229.323
Synonyms:	Carbamicacid, [2-(1-piperazinyl)ethyl]-, 1,1-dimethylethyl ester (9CI);1-(2-((tert-Butoxycarbonyl)amino)ethyl)piperazine;
Density:	1.014 g/cm³
Boiling Point:	357.2 °C at 760 mmHg
Flash Point:	169.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	53.60000
LogP:	1.07390

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Specification

This chemical is called 1-(2-N-Boc-Aminoethyl)piperazine, and its IUPAC name is tert-butyl N-(2-piperazin-1-ylethyl)carbamate. With the molecular formula of C₁₁H₂₃N₃O₂, its molecular weight is 229.32. The CAS registry number of this chemical is 140447-78-5, and its product category is pharmacetical.

Other characteristics of the 1-(2-N-Boc-Aminoethyl)piperazine can be summarised as followings: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -0.73; (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): 1.5; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 36.02 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 63.18 cm³; (15)Molar Volume: 226 cm³; (16)Polarizability: 25.04×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.014 g/cm³; (19)Flash Point: 169.8 °C; (20)Enthalpy of Vaporization: 60.25 kJ/mol; (21)Boiling Point: 357.2 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)NCCN1CCNCC1
2.InChI: InChI=1/C11H23N3O2/c1-11(2,3)16-10(15)13-6-9-14-7-4-12-5-8-14/h12H,4-9H2,1-3H3,(H,13,15)
3.InChIKey: VPOIPCJBJNWHSJ-UHFFFAOYAW