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Cas Database |
| Name |
(S)-3-N-Cbz-aminopyrrolidine |
EINECS | N/A |
| CAS No. | 176970-12-0 | Density | 1.16g/cm3 |
| PSA | 50.36000 | LogP | 1.99440 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H16N2O2 | Boiling Point | 382.5 °C at 760 mmHg |
| Molecular Weight | 220.271 | Flash Point | 185.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamicacid, 3-pyrrolidinyl-, phenylmethyl ester, (S)-;(S)-3-Benzyloxycarbonylaminopyrrolidine; |
Article Data | 2 |
(S)-3-N-Cbz-aminopyrrolidine Specification
The cas register number of (S)-3-N-Cbz-aminopyrrolidine is 176970-12-0. It also can be called as Carbamic acid,(3S)-3-pyrrolidinyl-, phenylmethyl ester (9CI) and the Systematic name about this chemical is benzyl N-[(3S)-pyrrolidin-3-yl]carbamate.
Physical properties about (S)-3-N-Cbz-aminopyrrolidine are: (1)ACD/LogP: 1.54; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 50.36Å2; (6)Index of Refraction: 1.564; (7)Molar Refractivity: 61.63 cm3; (8)Molar Volume: 189.3 cm3; (9)Polarizability: 24.43X10-24cm3; (10)Surface Tension: 46.5 dyne/cm; (11)Flash Point: 185.1 °C; (12)Enthalpy of Vaporization: 63.09 kJ/mol; (13)Boiling Point: 382.5 °C at 760 mmHg; (14)Vapour Pressure: 4.69E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N[C@H]2CCNC2
(2)InChI: InChI=1/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1
(3)InChIKey: DSOICHFMGRBFCM-NSHDSACABZ
(4)Std. InChI: InChI=1S/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1
(5)Std. InChIKey: DSOICHFMGRBFCM-NSHDSACASA-N
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