| CAS Number | 1019497-02-9 |
| Catalog Number | AG01A7PL |
| Chemical Name | 4-[(Butan-2-yl)amino]benzamide |
| IUPAC Name | 4-(butan-2-ylamino)benzamide |
| InChI | InChI=1S/C11H16N2O/c1-3-8(2)13-10-6-4-9(5-7-10)11(12)14/h4-8,13H,3H2,1-2H3,(H2,12,14) |
| InChI Key | WOCLOMZGFNLNES-UHFFFAOYSA-N |
| MDL Number | MFCD11143141 |
| Molecular Formula | C11H16N2O |
| Molecular Weight | 192.2575 |
| SMILES | CCC(NC1=CC=C(C(N)=O)C=C1)C |
| Synonyms | 4-[(butan-2-yl)amino]benzamide,
4-(butan-2-ylamino)benzamide,
1019497-02-9,
4-(sec-butylamino)benzamide,
AC1Q2SBN,
CTK6C9366,
AKOS000233618,
AKOS016904378,
MCULE-5010054444,
NE19579,
EN300-59445,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.262g/mol |
| Monoisotopic Mass | 192.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number