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Cas Database |
| Name |
L-Methionine,N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester |
EINECS | 223-341-9 |
| CAS No. | 3845-64-5 | Density | 1.28 g/cm3 |
| PSA | 127.31000 | LogP | 1.56880 |
| Solubility | N/A | Melting Point |
120-126 °C |
| Formula | C14H22N2O6S | Boiling Point | N/A |
| Molecular Weight | 346.404 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamicacid, [(1S)-1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-3-(methylthio)propyl]-,1,1-dimethylethyl ester (9CI);Carbamic acid,[1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-3-(methylthio)propyl]-,1,1-dimethylethyl ester, (S)-;Succinimide, N-[(N-carboxy-L-methionyl)oxy]-,tert-butyl ester (7CI,8CI);Methionine, N-carboxy-, N-tert-butyl ester,succinimido deriv., L- (8CI);N-(tert-Butyloxycarbonyl)-L-methionine ester withN-hydroxysuccinimide;NSC 343722;Boc-Met-Osu; |
Article Data | 13 |
L-Methionine,N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester Specification
The L-Methionine,N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester, with CAS registry number 3845-64-5, belongs to the following product categories: (1)Amino Acid Derivatives; (2)Amino Acids. It has the systematic name of 2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)methioninate. This chemical should be stored at the temperature of −20°C. What's more, its EINECS is 223-341-9.
Physical properties of L-Methionine,N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.78; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 52.53; (8)ACD/KOC (pH 7.4): 52.5; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 118.52 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 84.3 cm3; (15)Molar Volume: 270.2 cm3; (16)Polarizability: 33.42×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.28 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(OC(=O)C(NC(=O)OC(C)(C)C)CCSC)C(=O)CC1
(2)InChI: InChI=1/C14H22N2O6S/c1-14(2,3)21-13(20)15-9(7-8-23-4)12(19)22-16-10(17)5-6-11(16)18/h9H,5-8H2,1-4H3,(H,15,20)
(3)InChIKey: PCZJWSPKNYONIM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H22N2O6S/c1-14(2,3)21-13(20)15-9(7-8-23-4)12(19)22-16-10(17)5-6-11(16)18/h9H,5-8H2,1-4H3,(H,15,20)
(5)Std. InChIKey: PCZJWSPKNYONIM-UHFFFAOYSA-N
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