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(R)-4-Boc-2-methylpiperazine

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Name

(R)-4-Boc-2-methylpiperazine

EINECS N/A
CAS No. 163765-44-4 Density 0.997 g/cm3
PSA 41.57000 LogP 1.48190
Solubility N/A Melting Point 40-45 °C
Formula C10H20N2O2 Boiling Point 268.7 °C at 760 mmHg
Molecular Weight 200.281 Flash Point 116.3 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 37/38-41
Molecular Structure Molecular Structure of 163765-44-4 ((R)-4-Boc-2-methylpiperazine) Hazard Symbols IrritantXi
Synonyms

(3R)-3-Methylpiperazine-1-carboxylicacid tert-butyl ester;(3R)-tert-Butyl 3-methylpiperazine-1-carboxylate;(R)-3-Methylpiperazine-1-carboxylic acid tert-butyl ester;1,1-Dimethylethyl (3R)-3-methyl-1-piperazinecarboxylate;3-(R)-Methyl-1-(tert-butoxycarbonyl)piperazine;3-Methylpiperazine-1-carboxylic acid (R)-tert-butylester;tert-Butyl (R)-3-methylpiperazine-1-carboxylate;

Article Data 16

(R)-4-Boc-2-methylpiperazine Specification

This chemical is called tert-Butyl (3R)-3-methylpiperazine-1-carboxylate, and its CAS registry number is 163765-44-4. With the molecular formula of C10H20N2O2, its product categories are Piperazine Series; Pharmacetical; Piperazines. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the tert-Butyl (3R)-3-methylpiperazine-1-carboxylate can be summarised as followings: (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 Å2; (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.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N1C[C@H](NCC1)C
2.InChI: InChI=1/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
3.InChIKey: FMLPQHJYUZTHQS-MRVPVSSYBM

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