| Identification | |
| Name: | Carbamic acid,N-[(1R)-1-formyl-2-phenylethyl]-, 1,1-dimethylethyl ester |
| Synonyms: | Carbamicacid, (1-formyl-2-phenylethyl)-, 1,1-dimethylethyl ester, (R)-;Carbamic acid,[(1R)-1-formyl-2-phenylethyl]-, 1,1-dimethylethyl ester (9CI);(R)-(+)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropanal;N-tert-Butoxycarbonyl-D-phenylalaninal;tert-Butoxycarbonyl-D-phenylalaninal;N-Boc-D-phenylalaninal; |
| CAS: | 77119-85-8 |
| Molecular Formula: | C14H19NO3 |
| Molecular Weight: | 249.31 |
| InChI: | InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.077 g/cm3 |
| Appearance: | White or tan crystalline powder |
| Specification: |
The N-Boc-D-phenylalaninal with the CAS number 77119-85-8 is also called Carbamic acid,N-[(1R)-1-formyl-2-phenylethyl]-, 1,1-dimethylethyl ester. The IUPAC name is tert-butyl N-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamate. Its molecular formula is C14H19NO3. This chemical should be stored at Freezer (-20°C). The properties of the chemical are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 148.5; (6)ACD/BCF (pH 7.4): 148.49; (7)ACD/KOC (pH 5.5): 1247.76; (8)ACD/KOC (pH 7.4): 1247.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 69.08 cm3; (15)Molar Volume: 231.3 cm3; (16)Polarizability: 27.38×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Enthalpy of Vaporization: 61.35 kJ/mol; (19)Vapour Pressure: 1.41×10-5 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Safety Data | |
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