(S)-1-N-Boc-2-ethylpiperazine supplier

Name
(S)-1-N-Boc-2-ethylpiperazine
EINECS
CAS No. 325145-35-5
Article Data5
CAS DataBase
Density 0.981 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂N₂O₂
Boiling Point 286.7 °C at 760 mmHg
Molecular Weight 214.308
Flash Point 127.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (2S)-2-Ethyl-1-piperazinecarboxylicacid 1,1-dimethylethyl ester;(S)-2-Ethylpiperazine-1-carboxylic acidtert-butyl ester;1-(tert-Butoxycarbonyl)-2(S)-ethylpiperazine;tert-butyl (2S)-2-ethylpiperazine-1-carboxylate;
PSA 41.57000
LogP 1.87200

(S)-1-N-Boc-2-ethylpiperazine Specification

The (S)-1-N-Boc-2-ethylpiperazine, with the CAS registry number 325145-35-5, has the systematic name of tert-butyl (2S)-2-ethylpiperazine-1-carboxylate. And the molecular formula of this chemical is C₁₁H₂₂N₂O₂. It belongs to the following product categories: Pyrans, Piperidines & Piperazines; Piperaizine; Pyrans, Piperidines & Piperazines.

The physical properties of (S)-1-N-Boc-2-ethylpiperazine are as following: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 5.2; (6)ACD/KOC (pH 5.5): 2.82; (7)ACD/KOC (pH 7.4): 95.92; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 41.57 Å²; (12)Index of Refraction: 1.457; (13)Molar Refractivity: 59.5 cm³; (14)Molar Volume: 218.3 cm³; (15)Polarizability: 23.58×10^-24cm³; (16)Surface Tension: 31 dyne/cm; (17)Density: 0.981 g/cm³; (18)Flash Point: 127.2 °C; (19)Enthalpy of Vaporization: 52.58 kJ/mol; (20)Boiling Point: 286.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0026 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC[C@H]1CNCCN1C(=O)OC(C)(C)C
(2)InChI: InChI=1/C11H22N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
(3)InChIKey: CTCGRXDGXGUOTE-VIFPVBQEBX

Product Name

(S)-1-N-Boc-2-ethylpiperazine

(S)-1-N-Boc-2-ethylpiperazine Specification

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