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| CAS No.: | 57159-62-3 |
|---|---|
| Name: | N-SUCCINIMIDYL 3-(BROMOACETAMIDO)PROPIONATE |
| Molecular Structure: | |
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| Formula: | C9H11BrN2O5 |
| Molecular Weight: | 307.101 |
| Synonyms: | Acetamide,2-bromo-N-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]- (9CI);SBAP;Succinimidyl 3-(bromoacetamido)propionate; |
| Density: | 1.69 g/cm3 |
| Melting Point: | 93-94 °C |
| Appearance: | White Solid |
| PSA: | 92.78000 |
| LogP: | -0.17640 |
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- Total:27 Page 1 of 1 1
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Specification
The CAS register number of 2,5-Dioxopyrrolidin-1-yl N-(bromoacetyl)-β-alaninate is 57159-62-3. It also can be called as β-alanine, N-(2-bromoacetyl)-, 2,5-dioxo-1-pyrrolidinyl ester and the systematic name about this chemical is 2,5-dioxopyrrolidin-1-yl N-(bromoacetyl)-β-alaninate. The molecular formula about this chemical is C9H11BrN2O5 and the molecular weight is 307.1. It belongs to the following product categories which include MTS and Sulfhydryl Active Reagents; Cross Linking Reagents; MTS & Sulfhydryl Active Reagents and so on. This chemical can be used as a sulfhydryl and amino reactive heterobifunctional protein crosslinking reagent.
Physical properties about 2,5-Dioxopyrrolidin-1-yl N-(bromoacetyl)-β-alaninate are: (1)ACD/LogP: -1.91; (2)ACD/LogD (pH 5.5): -1.91; (3)ACD/LogD (pH 7.4): -1.91; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.19; (7)ACD/KOC (pH 7.4): 2.19; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 83.99Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 59.13 cm3; (14)Molar Volume: 181.1 cm3; (15)Polarizability: 23.44x10-24cm3; (16)Surface Tension: 62.5 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(OC(=O)CCNC(=O)CBr)C(=O)CC1
(2)InChI: InChI=1/C9H11BrN2O5/c10-5-6(13)11-4-3-9(16)17-12-7(14)1-2-8(12)15/h1-5H2,(H,11,13)
(3)InChIKey: WGMMKWFUXPMTRW-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H11BrN2O5/c10-5-6(13)11-4-3-9(16)17-12-7(14)1-2-8(12)15/h1-5H2,(H,11,13)
(5)Std. InChIKey: WGMMKWFUXPMTRW-UHFFFAOYSA-N