1-Cbz-4-(2-Aminoethyl)piperazine supplier

Name
1-Cbz-4-(2-Aminoethyl)piperazine
EINECS
CAS No. 104740-55-8
Article Data6
CAS DataBase
Density 1.154 g/cm³
Solubility
Melting Point 163-164℃ (isopropanol )
Formula C₁₄H₂₁N₃O₂
Boiling Point 403.7 °C at 760 mmHg
Molecular Weight 263.34
Flash Point 198 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2-Aminoethyl)piperazine-1-carboxylicacid benzyl ester;
PSA 58.80000
LogP 1.47560

1-Cbz-4-(2-Aminoethyl)piperazine Specification

The 1-Cbz-4-(2-Aminoethyl)piperazine is an organic compound with the formula C₁₄H₂₁N₃O₂. The systematic name of this chemical is benzyl 4-(2-aminoethyl)piperazine-1-carboxylate. With the CAS registry number 104740-55-8, it is also named as 1-Piperazinecarboxylicacid, 4-(2-aminoethyl)-, phenylmethyl ester. In addition, the molecular weight is 263.33544.

The other characteristics of 1-Cbz-4-(2-Aminoethyl)piperazine can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.19; (4)ACD/LogD (pH 7.4): -1.42; (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: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.02 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 73.87 cm³; (15)Molar Volume: 228.1 cm³; (16)Polarizability: 29.28×10^-24 cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.154 g/cm³; (19)Flash Point: 198 °C; (20)Enthalpy of Vaporization: 65.51 kJ/mol; (21)Boiling Point: 403.7 °C at 760 mmHg; (22)Vapour Pressure: 9.96E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCc1ccccc1)N2CCN(CCN)CC2
2. InChI:InChI=1/C14H21N3O2/c15-6-7-16-8-10-17(11-9-16)14(18)19-12-13-4-2-1-3-5-13/h1-5H,6-12,15H2
3. InChIKey:QSFXITXPTXIAOB-UHFFFAOYAN
4. Std. InChI:InChI=1S/C14H21N3O2/c15-6-7-16-8-10-17(11-9-16)14(18)19-12-13-4-2-1-3-5-13/h1-5H,6-12,15H2
5. Std. InChIKey:QSFXITXPTXIAOB-UHFFFAOYSA-N

Product Name

1-Cbz-4-(2-Aminoethyl)piperazine

1-Cbz-4-(2-Aminoethyl)piperazine Specification

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