(S)-N-Boc-Leucinenitrile supplier

Name
BOC-L-LEU-NITRILE
EINECS
CAS No. 115654-59-6
Article Data6
CAS DataBase
Density 0.98 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀N₂O₂
Boiling Point 318.935 °C at 760 mmHg
Molecular Weight 212.292
Flash Point 146.687 °C
Transport Information
Appearance White to off-white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (1-cyano-3-methylbutyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid, [(1S)-1-cyano-3-methylbutyl]-,1,1-dimethylethyl ester (9CI);
PSA 62.12000
LogP 2.84028

(S)-N-Boc-Leucinenitrile 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:
(1)SMILES: CC(C)(C)OC(=O)N[C@H](C#N)CC(C)C
(2)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
(3)InChIKey: ZTELWEIFTFYNJS-VIFPVBQEBN
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: ZTELWEIFTFYNJS-VIFPVBQESA-N

Product Name

BOC-L-LEU-NITRILE

(S)-N-Boc-Leucinenitrile Specification

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