(3S,4S)-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate supplier

Name
trans-tert-butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate
EINECS 300-502-4
CAS No. 955028-82-7
Article Data4
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈FNO₃
Boiling Point 300.8 °C at 760 mmHg
Molecular Weight 219.256
Flash Point 135.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylate;
PSA 49.77000
LogP 1.26410

(3S,4S)-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate Specification

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

Product Name

trans-tert-butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate

(3S,4S)-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate Specification

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