| Identification | |
| Name: | Carbamic acid,N-[(1S)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester |
| Synonyms: | Carbamicacid, (1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid,[(1S)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI);((S)-1-Methyl-2-oxo-ethyl)carbamic acid tert-butyl ester;((S)-1-Methyl-2-oxoethyl)carbamic acid tert-butyl ester;(S)-2-(((tert-Butoxy)carbonyl)amino)propanal;(S)-2-(tert-Butoxycarbonylamino)propionaldehyde;BOC-alaninal;N-(tert-Butoxycarbonyl)-L-alaninal;N-(tert-Butoxycarbonyl)alaninal;tert-Butyl((S)-1-methyl-2-oxoethyl)carbamate;tert-Butyl(1S)-1-methyl-2-oxoethylcarbamate;tert-ButylN-[(S)-1-methyl-2-oxoethyl]carbamate; |
| CAS: | 79069-50-4 |
| Molecular Formula: | C8H15NO3 |
| Molecular Weight: | 173.21 |
| InChI: | InChI=1/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.015 g/cm3 |
| Refractive index: | 1.435 |
| Specification: |
The Boc-L-alaninal, its cas register number is 79069-50-4. It also can be called as Boc-L-alanine aldehyde and the IUPAC name about this chemical is tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate. It belongs to the N-BOC. If you want to store this chemical, the temperature must below -20°C. Physical properties about Boc-L-alaninal are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.06; (6)ACD/BCF (pH 7.4): 5.06; (7)ACD/KOC (pH 5.5): 111.15; (8)ACD/KOC (pH 7.4): 111.14; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 44.59 cm3; (15)Molar Volume: 170.6 cm3; (16)Polarizability: 17.67x10-24cm3; (17)Surface Tension: 31.5 dyne/cm; (18)Enthalpy of Vaporization: 48.57 kJ/mol; (19)Vapour Pressure: 0.0241 mmHg at 25°C You can still convert the following datas into molecular structure: |
| Storage Temperature: | −20°C |
| Safety Data | |
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