| Identification | |
| Name: | Carbamic acid,N-[(1S)-1-cyano-3-methylbutyl]-, 1,1-dimethylethyl ester |
| Synonyms: | Carbamicacid, (1-cyano-3-methylbutyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid, [(1S)-1-cyano-3-methylbutyl]-,1,1-dimethylethyl ester (9CI); |
| CAS: | 115654-59-6 |
| Molecular Formula: | C11H20N2O2 |
| Molecular Weight: | 212.29 |
| InChI: | InChI=1/C11H20N2O2/c1-8(2)6-9(7-12)13-10(14)15-11(3,4)5/h8-9H,6H2,1-5H3,(H,13,14)/t9-/m0/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.129 g/cm3 |
| Refractive index: | 1.449 |
| Solubility: | at 25 deg C (mg/L): 6778 |
| Appearance: | White to off-white powder |
| Specification: |
The (S)-N-Boc-Leucinenitrile, its cas register number is 115654-59-6. It also can be called as (S)-(1-Cyano-3-methylbutyl)carbamic acid tert-butyl ester and the Systematic name about this chemical is tert-butyl [(1S)-1-cyano-3-methylbutyl]carbamate. Physical properties about (S)-N-Boc-Leucinenitrile are: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.35; (4)ACD/BCF (pH 5.5): 35.91; (5)ACD/BCF (pH 7.4): 35.85; (6)ACD/KOC (pH 5.5): 451.7; (7)ACD/KOC (pH 7.4): 450.91; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 62.12Å2; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 58.17 cm3; (14)Molar Volume: 216.5 cm3; (15)Polarizability: 23.06x10-24cm3; (16)Surface Tension: 33.3 dyne/cm; (17)Enthalpy of Vaporization: 56.05 kJ/mol; (18)Vapour Pressure: 0.00035 mmHg at 25°C You can still convert the following datas into molecular structure: |
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