2,5-Dioxopyrrolidin-1-yl N-(bromoacetyl)-β-alaninate supplier

Name
N-SUCCINIMIDYL 3-(BROMOACETAMIDO)PROPIONATE
EINECS
CAS No. 57159-62-3
Article Data3
CAS DataBase
Density 1.69 g/cm³
Solubility
Melting Point 93-94 °C
Formula C₉H₁₁BrN₂O₅
Boiling Point
Molecular Weight 307.101
Flash Point
Transport Information
Appearance White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetamide,2-bromo-N-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]- (9CI);SBAP;Succinimidyl 3-(bromoacetamido)propionate;
PSA 92.78000
LogP -0.17640

2,5-Dioxopyrrolidin-1-yl N-(bromoacetyl)-β-alaninate 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

Product Name

N-SUCCINIMIDYL 3-(BROMOACETAMIDO)PROPIONATE

2,5-Dioxopyrrolidin-1-yl N-(bromoacetyl)-β-alaninate Specification

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