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CAS No.: | 163765-44-4 |
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Name: | (R)-4-Boc-2-methylpiperazine |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H20N2O2 |
Molecular Weight: | 200.281 |
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; |
Density: | 0.997 g/cm3 |
Melting Point: | 40-45 °C |
Boiling Point: | 268.7 °C at 760 mmHg |
Flash Point: | 116.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
PSA: | 41.57000 |
LogP: | 1.48190 |
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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