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CAS No.: | 301673-14-3 |
---|---|
Name: | N-Boc-4-iodopiperidine |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C10H18INO2 |
Molecular Weight: | 311.163 |
Synonyms: | 1,1-Dimethylethyl4-iodo-1-piperidine-1-carboxylate;1-(tert-Butoxycarbonyl)-4-iodopiperidine;4-Iodo-N-tert-butoxycarbonylpiperidine;4-Iodopiperidine-1-carboxylic acid tert-butyl ester;tert-Butyl4-iodopiperidine-1-carboxylate; |
EINECS: | 690-647-0 |
Density: | 1.5 g/cm3 |
Melting Point: | 35-38 °C |
Boiling Point: | 318.8 °C at 760 mmHg |
Flash Point: | 146.6 °C |
Solubility: | Slightly soluble in water. Soluble in methanol. |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 22-26-36/37/39 |
PSA: | 29.54000 |
LogP: | 2.75880 |
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The CAS register number of N-Boc-4-iodopiperidine is 301673-14-3. It also can be called as 4-Iodopiperidine-1-carboxylic acid tert-butyl ester and the IUPAC name about this chemical is tert-butyl 4-iodopiperidine-1-carboxylate. It belongs to the following product categories, such as pharmacetical, Heterocyclic Building Blocks and so on.
Physical properties about N-Boc-4-iodopiperidine are: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 2.64; (4)ACD/BCF (pH 5.5): 59.91; (5)ACD/BCF (pH 7.4): 59.91; (6)ACD/KOC (pH 5.5): 651.57; (7)ACD/KOC (pH 7.4): 651.57; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 64.95 cm3; (13)Molar Volume: 206.2 cm3; (14)Polarizability: 25.74x10-24cm3; (15)Surface Tension: 41.2 dyne/cm; (16)Enthalpy of Vaporization: 56.04 kJ/mol; (17)Boiling Point: 318.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000352 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CCC(I)CC1
(2)InChI: InChI=1/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3
(3)InChIKey: YFWQFKUQVJNPKP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3
(5)Std. InChIKey: YFWQFKUQVJNPKP-UHFFFAOYSA-N