| CAS Number | 304664-15-1 |
| Catalog Number | AG00307A(AGN-PC-0WAMGF) |
| Chemical Name | N-(4-Bromophenethyl)isobutyramide |
| IUPAC Name | N-[2-(4-bromophenyl)ethyl]-2-methylpropanamide |
| InChI | InChI=1S/C12H16BrNO/c1-9(2)12(15)14-8-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15) |
| InChI Key | YTDGAIPQPGLUBF-UHFFFAOYSA-N |
| MDL Number | MFCD01325779 |
| Molecular Formula | C12H16BrNO |
| Molecular Weight | 270.1655 |
| SMILES | CC(C)C(=O)NCCC1=CC=C(Br)C=C1 |
| Synonyms | N-(4-Bromophenethyl)isobutyramide,
304664-15-1,
N-[2-(4-bromophenyl)ethyl]-2-methylpropanamide,
AK201874,
AC1MVPNL,
AC1Q1NZB,
N-(2-(4-BROMO-PHENYL)-ETHYL)-ISOBUTYRAMIDE,
DTXSID00395741,
ZINC405587,
KS-00000TF1,
MFCD01325779,
AKOS024325975,
MCULE-3791679006,
BBV-45084580,
DS-10285,
Propanamide, N-[2-(4-bromophenyl)ethyl]-2-methyl-,
CID3736669,
N-[2-(4-bromophenyl)ethyl]-2-methyl-propanamide,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.17g/mol |
| Monoisotopic Mass | 269.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number