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CAS No.: | 221352-39-2 |
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Name: | L-N-[(4'-BOC)PIPERIDINO]PROLINE |
Molecular Structure: | |
Formula: | C15H26N2O4 |
Molecular Weight: | 298.38 |
Synonyms: | L-N-[(4-BOC)PIPERIDINO]PROLINE;L-N-[(4-BOC)PIPERIDINO]PROLINE;RARECHEM EM WB 0198;(S)-4-(2-CARBOXY-PYRROLIDIN-1-YL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;(S)-1-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)PYRROLIDINE-2-CARBOXYLIC ACID;(S)-1-(1-N-BOC-PIPERIDIN-4-YL) PYRROLIDINE-2-CARBOXYLIC ACID;N-(1-BOC-PIPERIDIN-4-YL)-L-PROLINE;L-N-[(4'-Boc)piperidino]proline |
Density: | 1.191g/cm3 |
Boiling Point: | 427.9 °C at 760 mmHg |
Flash Point: | 212.6 °C |
Hazard Symbols: | N |
Risk Codes: | 50 |
Safety: | 61 |
PSA: | 70.08000 |
LogP: | 1.81070 |
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The N-(1-Boc-piperidin-4-yl)-L-proline, with CAS registry number 221352-39-2, has the systematic name of 1-[1-(tert-butoxycarbonyl)piperidin-4-yl]-L-proline. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C15H26N2O4.
Physical properties of N-(1-Boc-piperidin-4-yl)-L-proline: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 77.6 cm3; (15)Molar Volume: 250.3 cm3; (16)Polarizability: 30.76×10-24cm3; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 212.6 °C; (20)Enthalpy of Vaporization: 74.9 kJ/mol; (21)Boiling Point: 427.9 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCC(N1[C@H](C(=O)O)CCC1)CC2
(2)InChI: InChI=1/C15H26N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)/t12-/m0/s1
(3)InChIKey: LEJHMMZZSDZTLY-LBPRGKRZBL
(4)Std. InChI: InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)/t12-/m0/s1
(5)Std. InChIKey: LEJHMMZZSDZTLY-LBPRGKRZSA-N