Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylic acid |
EINECS | N/A |
CAS No. | 138775-03-8 | Density | 1.272 g/cm3 |
PSA | 96.38000 | LogP | 2.20490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H24N2O6 | Boiling Point | 518.9 °C at 760 mmHg |
Molecular Weight | 364.398 | Flash Point | 267.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(S)-N-1-Boc-N-4-Cbz-2-piperazine carboxylic acid;(S)-1-Boc-4-Cbz-2-piperazine carboxylic acid;(S)-4-(Benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid; |
Article Data | 6 |
The systematic name of (S)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylic acid is (2S)-4-[(benzyloxy)carbonyl]-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid. With the CAS registry number 138775-03-8, it is also named as (S)-4-(Benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid. In addition, its molecular formula is C18H24N2O6 and its molecular weight is 364.39.
The other characteristics of (S)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylic acid can be summarized as: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.37; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 85.38 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 91.93 cm3; (15)Molar Volume: 286.3 cm3; (16)Polarizability: 36.44×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 267.6 °C; (20)Enthalpy of Vaporization: 83.33 kJ/mol; (21)Boiling Point: 518.9 °C at 760 mmHg; (22)Vapour Pressure: 1.36E-11 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N2[C@H](C(=O)O)CN(C(=O)OCc1ccccc1)CC2
(2)InChI: InChI=1/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-19(11-14(20)15(21)22)16(23)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m0/s1
(3)InChIKey: SREPAMKILVVDSP-AWEZNQCLBA
(4)Std. InChI: InChI=1S/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-19(11-14(20)15(21)22)16(23)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m0/s1
(5)Std. InChIKey: SREPAMKILVVDSP-AWEZNQCLSA-N