CAS No.147081-29-6,(S)-4-N-Boc-2-methylpiperazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	147081-29-6
Name:	(S)-4-N-Boc-2-methylpiperazine
Article Data:	24

Formula:	C₁₀H₂₀N₂O₂
Molecular Weight:	200.281
Synonyms:	1-Piperazinecarboxylicacid, 3-methyl-, 1,1-dimethylethyl ester, (S)-;(3S)-3-Methylpiperazine-1-carboxylic acid tert-butylester;(S)-1-tert-Butoxycarbonyl-3-methylpiperazine;1,1-Dimethylethyl(S)-3-methyl-1-piperazinecarboxylate;tert-Butyl(3S)-3-methylpiperazine-1-carboxylate;
Density:	0.997 g/cm³
Melting Point:	40-45 °C
Boiling Point:	268.7 °C at 760 mmHg
Flash Point:	116.3 °C
Appearance:	colorless to yellow liquid
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39
PSA:	41.57000
LogP:	1.48190

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Specification

The (S)-4-Boc-2-methylpiperazine, with the cas registry number 147081-29-6, has the IUPAC name of tert-butyl (3S)-3-methylpiperazine-1-carboxylate. This is a kind of colorless to yellow liquid, with the product categories including pharmacetical; Piperazine series; Quinoline series; Piperaizine; Piperazines.

The physical properties of this chemical are as follows: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1.37; (8)ACD/KOC (pH 7.4): 48.04; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 54.88 cm³; (15)Molar Volume: 200.7 cm³; (16)Polarizability: 21.75 ×10^-24cm³; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 0.997 g/cm³; (19)Flash Point: 116.3 °C; (20)Enthalpy of Vaporization: 50.68 kJ/mol; (21)Boiling Point: 268.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00755 mmHg at 25°C; (23)Exact Mass: 200.152478; (24)MonoIsotopic Mass: 200.152478; (25)Topological Polar Surface Area: 41.6; (26)Heavy Atom Count: 14; (27)Formal Charge: 0; (28)Complexity: 211.

When you are dealing with this chemical, please be cautious. For being a kind of chemical irritating to respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. And it may has risk of serious damage to eyes. Therefore, you should take the following instructions. Wear eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C
(2)Isomeric SMILES: C[C@H]1CN(CCN1)C(=O)OC(C)(C)C
(3)InChI: InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
(4)InChIKey: FMLPQHJYUZTHQS-QMMMGPOBSA-N