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Cas Database |
| Name |
L-Phenylalanine,1,1-dimethylethyl ester |
EINECS | N/A |
| CAS No. | 16874-17-2 | Density | 1.042±0.06 g/cm3(Predicted) |
| PSA | 52.32000 | LogP | 2.59840 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H19NO2 | Boiling Point | 336.9 °C at 760 mmHg |
| Molecular Weight | 221.299 | Flash Point | 157.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Alanine,phenyl-, tert-butyl ester, L- (8CI);(S)-2-Amino-3-phenylpropionic acidtert-butyl ester;L-Phenylalanine tert-butyl ester;Phenylalanine tert-butylester;tert-Butyl (S)-2-amino-3-phenylpropanoate;tert-Butyl L-phenylalaninate; |
Article Data | 58 |
L-Phenylalanine,1,1-dimethylethyl ester Specification
The L-Phenylalanine,1,1-dimethylethyl ester is an organic compound with the formula C13H19NO2. The systematic name of this chemical is Tert-butyl D-phenylalaninate hydrochloride. With the CAS registry number 16874-17-2, it is also named as D-Phenylalanine, 1,1-dimethylethyl ester, hydrochloride. The product's category is Chiral Reagent. Besides, its molecular weight is 221.3.
Physical properties about L-Phenylalanine,1,1-dimethylethyl ester are: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 0.91; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 1.2; (5)ACD/BCF (pH 7.4): 31.08; (6)ACD/KOC (pH 5.5): 14.06; (7)ACD/KOC (pH 7.4): 363.93; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 29.54 Å2; (12)Flash Point: 157.6 °C; (13)Enthalpy of Vaporization: 59.16 kJ/mol; (14)Boiling Point: 336.9 °C at 760 mmHg; (15)Vapour Pressure: 7.76E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H/t11-;/m1./s1
(2)InChIKey: FDMCEXDXULPJPG-RFVHGSKJBA
(3)Std. InChI: InChI=1S/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H/t11-;/m1./s1
(4)Std. InChIKey: FDMCEXDXULPJPG-RFVHGSKJSA-N
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