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| CAS No.: | 146474-00-2 |
|---|---|
| Name: | N-(2-Aminoethyl)maleimide trifluoroaceta |
| Molecular Structure: | |
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| Formula: | C8H9F3N2O4 |
| Molecular Weight: | 254.166 |
| Synonyms: | N-(2-Aminoethyl)maleimide trifluoroacetate salt; |
| Melting Point: | 124°C |
| Boiling Point: | 278.1 °C at 760 mmHg |
| Flash Point: | 122 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 100.70000 |
| LogP: | 0.14160 |
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Specification
This chemical is called N-(2-Aminoethyl)maleimide trifluoroaceta, and its CAS registry number is 146474-00-2. With the molecular formula of C8H9F3N2O4, its molecular weight is 254.16. Additionally, its product categories are Nitric Oxide Reagents; Cross Linking Reagents; Maleimide Derivatives. It's used as a thiol-reactive cross-linking reagent.
Other characteristics of the N-(2-Aminoethyl)maleimide trifluoroaceta can be summarised as followings: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.44; (4)ACD/LogD (pH 7.4): -1.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.38 Å2; (13)Flash Point: 122 °C; (14)Enthalpy of Vaporization: 51.67 kJ/mol; (15)Boiling Point: 278.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00436 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1/C=C\C(=O)N1CC[NH3+].FC(F)(F)C([O-])=O
2.InChI: InChI=1/C6H8N2O2.C2HF3O2/c7-3-4-8-5(9)1-2-6(8)10;3-2(4,5)1(6)7/h1-2H,3-4,7H2;(H,6,7)
3.InChIKey: YNHKVOGCDPODMT-UHFFFAOYAG