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Name |
1-Piperidinecarboxylicacid, 4-[(2S)-2-carboxy-1-pyrrolidinyl]-, 1-(phenylmethyl) ester |
EINECS | N/A |
CAS No. | 289677-06-1 | Density | 1.271 g/cm3 |
PSA | 70.08000 | LogP | 2.21240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H24N2O4 | Boiling Point | 506.4 °C at 760 mmHg |
Molecular Weight | 332.39 | Flash Point | 260 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-N-(4-N-CBZ-piperidino)proline;(S)-4-(2-Carboxy-pyrrolidin-1-yl)-piperidine-1-carboxylic acid benzyl ester;4-(2-Carboxy-pyrrolidin-1-yl)-piperidine-1-carboxylic acid benzyl ester; |
The CAS register number of 1-Piperidinecarboxylicacid, 4-[(2S)-2-carboxy-1-pyrrolidinyl]-, 1-(phenylmethyl) ester is 289677-06-1. It also can be called as 4-(2-Carboxy-pyrrolidin-1-yl)-piperidine-1-carboxylic acid benzyl ester and the systematic name about this chemical is 1-{1-[(benzyloxy)carbonyl]piperidin-4-yl}-L-proline. The molecular formula about this chemical is C18H24N2O4 and the molecular weight is 332.39. It belongs to the following product category which includes chiral.
Physical properties about 1-Piperidinecarboxylicacid, 4-[(2S)-2-carboxy-1-pyrrolidinyl]-, 1-(phenylmethyl) ester are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): -0.73; (3)ACD/LogD (pH 7.4): -0.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 59.08 Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 88.22 cm3; (14)Molar Volume: 261.5 cm3; (15)Polarizability: 34.97x10-24cm3; (16)Surface Tension: 58 dyne/cm; (17)Density: 1.271 g/cm3; (18)Flash Point: 260 °C; (19)Enthalpy of Vaporization: 81.73 kJ/mol; (20)Boiling Point: 506.4 °C at 760 mmHg; (21)Vapour Pressure: 4.48E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N3CCC(N2[C@H](C(=O)O)CCC2)CC3
(2)InChI: InChI=1/C18H24N2O4/c21-17(22)16-7-4-10-20(16)15-8-11-19(12-9-15)18(23)24-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,21,22)/t16-/m0/s1
(3)InChIKey: QFKKBRVYWOSFQR-INIZCTEOBL
(4)Std. InChI: InChI=1S/C18H24N2O4/c21-17(22)16-7-4-10-20(16)15-8-11-19(12-9-15)18(23)24-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,21,22)/t16-/m0/s1
(5)Std. InChIKey: QFKKBRVYWOSFQR-INIZCTEOSA-N