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CAS No.: | 192330-11-3 |
---|---|
Name: | 4-Boc-piperazine-2-carboxylic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H18N2O4 |
Molecular Weight: | 230.264 |
Synonyms: | 1,3-Piperazinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (R)-;(R)-4-Boc-2-piperazinecarboxylic acid;4-Boc-piperazine-2-(R)-carboxylic acid; |
Density: | 1.193 g/cm3 |
Melting Point: | 231-239 °C |
Boiling Point: | 371.785 °C at 760 mmHg |
Flash Point: | 178.649 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-43 |
Safety: | 26-36/37/39 |
PSA: | 78.87000 |
LogP: | 0.54660 |
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The (R)-4-Boc-2-piperazinecarboxylic acid, with the CAS registry number 192330-11-3, is also known as 1,3-Piperazinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (R)-. It belongs to the product categories of Pharmacetical; Piperaizine. This chemical's molecular formula is C10H18N2O4 and molecular weight is 230.26. What's more, its systematic name is (2R)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid. This chemical is mainly used as a pharmaceutical intermediate.
Physical properties of (R)-4-Boc-2-piperazinecarboxylic acid are: (1)ACD/LogP: 0.318; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 35.50; (8)ACD/KOC (pH 7.4): 35.50; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 114.43 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 73.609 cm3; (15)Molar Volume: 254.674 cm3; (16)Polarizability: 29.181×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 162.657 °C; (20)Enthalpy of Vaporization: 62.334 kJ/mol; (21)Boiling Point: 375.777 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitisation by skin contact. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C[C@H](C(=O)O)NCC1
(2)Std. InChI: InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1
(3)Std. InChIKey: YRYAXQJXMBETAT-SSDOTTSWSA-N