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Name |
(3S,4S)-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate |
EINECS | 300-502-4 |
CAS No. | 955028-82-7 | Density | 1.15 g/cm3 |
PSA | 49.77000 | LogP | 1.26410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H18FNO3 | Boiling Point | 300.8 °C at 760 mmHg |
Molecular Weight | 219.256 | Flash Point | 135.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
tert-Butyl (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylate; |
Article Data | 4 |
The chemical with CAS registry number of 955028-82-7 is known as (3S,4S)-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate. The systematic name is tert-Butyl (3S,4S)-4-fluoro-3-hydroxy-piperidine-1-carboxylate. In addition, the formula is C10H18FNO3 and the molecular weight is 219.25.
Physical properties about (3S,4S)-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1.21; (6)ACD/BCF (pH 7.4): 1.21; (7)ACD/KOC (pH 5.5): 39.9; (8)ACD/KOC (pH 7.4): 39.9; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.77Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 53.65 cm3; (15)Molar Volume: 189.6 cm3; (16)Polarizability: 21.27×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 135.7 °C; (20)Enthalpy of Vaporization: 62.74 kJ/mol; (21)Boiling Point: 300.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000108 mmHg at 25 °C
You can still convert the following datas into molecular structure:
1. SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)O)F
2. InChI: InChI=1/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1
3. InChIKey: FZAKOAFETOZBLC-YUMQZZPRBV
4. Std. InChI: InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1
5. Std. InChIKey: FZAKOAFETOZBLC-YUMQZZPRSA-N