| CAS Number | 859161-71-0 |
| Catalog Number | AG004WLX(AGN-PC-0CWRD0) |
| Chemical Name | 2-Propenamide, N-[5-[(bromoacetyl)amino]pentyl]- |
| IUPAC Name | N-[5-[(2-bromoacetyl)amino]pentyl]prop-2-enamide |
| InChI | InChI=1S/C10H17BrN2O2/c1-2-9(14)12-6-4-3-5-7-13-10(15)8-11/h2H,1,3-8H2,(H,12,14)(H,13,15) |
| InChI Key | KVLNTIPUCYZQHA-UHFFFAOYSA-N |
| MDL Number | MFCD28977485 |
| Molecular Formula | C10H17BrN2O2 |
| Molecular Weight | 277.1582 |
| SMILES | BrCC(=O)NCCCCCNC(=O)C=C |
| Synonyms | 859161-71-0,
N-(4-(2-bromoacetamido)butyl)acrylamide,
N-(5-(2-bromoacetamido)pentyl)acrylamide,
SCHEMBL347623,
CTK3C7987,
DTXSID90731694,
KVLNTIPUCYZQHA-UHFFFAOYSA-N,
AKOS032960980,
N-[5-(2-Bromoacetyl) aminopentyl]acrylamide,
N-[5-(2-Bromoacetamido)pentyl]prop-2-enamide,
2-Propenamide, N-[5-[(bromoacetyl)amino]pentyl]-,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.162g/mol |
| Monoisotopic Mass | 276.047g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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