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Cas Database |
| Name |
(S)-3-(Boc-amino)-2-piperidone |
EINECS | N/A |
| CAS No. | 92235-39-7 | Density | 1.11 g/cm3 |
| PSA | 67.43000 | LogP | 1.50940 |
| Solubility | N/A | Melting Point |
203-205 °C |
| Formula | C10H18N2O3 | Boiling Point | 405.6 °C at 760 mmHg |
| Molecular Weight | 214.265 | Flash Point | 199.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamic acid,[(3S)-2-oxo-3-piperidinyl]-, 1,1-dimethylethyl ester (9CI);1,1-Dimethylethyl[(S)-2-oxo-3-piperidinyl]carbamate;Carbamicacid, (2-oxo-3-piperidinyl)-, 1,1-dimethylethyl ester, (S)-; |
Article Data | 1 |
(S)-3-(Boc-amino)-2-piperidone Chemical Properties
IUPAC Name: tert-Butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
Synonyms of (S)-3-(Boc-amino)-2-piperidone (CAS NO.92235-39-7): tert-Butyl [(3S)-2-oxopiperidin-3-yl]carbamate ; 3-tert-Butyloxycarbonylamino-2-piperidone ; 3-t-Butyloxycarbonyl-amino-2-piperidone ; t-Boc-Amino-2-piperidone
CAS NO: 92235-39-7
Molecular Formula: C10H18N2O3
Molecular Weight: 214.26
Molecular Structure: 
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 49.85Å2
Index of Refraction: 1.489
Molar Refractivity: 55.56 cm3
Molar Volume: 192.2 cm3
Surface Tension: 39.6 dyne/cm
Density: 1.11 g/cm3
Flash Point: 199.1 °C
Enthalpy of Vaporization: 65.72 kJ/mol
Boiling Point: 405.6 °C at 760 mmHg
Vapour Pressure: 8.68E-07 mmHg at 25°C
SMILES: O=C(OC(C)(C)C)N[C@@H]1C(=O)NCCC1
InChI: InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKey: SSBSATYPIISWFD-ZETCQYMHBM
Std. InChI: InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
Std. InChIKey: SSBSATYPIISWFD-ZETCQYMHSA-N
Product Categories: pharmacetical;CHIRAL CHEMICALS
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