| CAS Number | 886209-47-8 |
| Catalog Number | AG00GUO7(AGN-PC-0VMRD4) |
| Chemical Name | N-(3-Aminopropyl)maleimide trifluoroacetate salt |
| IUPAC Name | 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C7H10N2O2.C2HF3O2/c8-4-1-5-9-6(10)2-3-7(9)11;3-2(4,5)1(6)7/h2-3H,1,4-5,8H2;(H,6,7) |
| InChI Key | KXQYFSRZPNLIDW-UHFFFAOYSA-N |
| MDL Number | MFCD11519189 |
| Molecular Formula | C9H11F3N2O4 |
| Molecular Weight | 268.1898 |
| SMILES | NCCCN1C(=O)C=CC1=O.OC(C(F)(F)F)=O |
| Synonyms | 886209-47-8,
N-(3-Aminopropyl)maleimide trifluoroacetate salt,
1-(3-AMINOPROPYL)-1H-PYRROLE-2,5-DIONE 2,2,2-TRIFLUOROACETATE,
PubChem11792,
SCHEMBL19435645,
DTXSID90725391,
FD6043,
MFCD11519189,
AKOS027328041,
AS-49274,
FT-0604044,
1-(3-Aminopropyl)-1H-pyrrole-2,5-dione Trifluoroacetate,
Trifluoroacetic acid--1-(3-aminopropyl)-1H-pyrrole-2,5-dione (1/1),
KXQYFSRZPNLIDW-UHFFFAOYSA-N,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.192g/mol |
| Monoisotopic Mass | 268.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number