| CAS Number | 81882-64-6 |
| Catalog Number | AG005H0N(AGN-PC-0KWR46) |
| Chemical Name | 3-amino-N-isobutylbenzamide |
| IUPAC Name | 3-amino-N-(2-methylpropyl)benzamide |
| InChI | InChI=1S/C11H16N2O/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3,(H,13,14) |
| InChI Key | YZWZQGUCOQSFKU-UHFFFAOYSA-N |
| MDL Number | MFCD01811251 |
| Molecular Formula | C11H16N2O |
| Molecular Weight | 192.2575 |
| SMILES | C(=O)(C1C=CC=C(N)C=1)NCC(C)C |
| Synonyms | 3-amino-N-isobutylbenzamide,
81882-64-6,
3-amino-N-(2-methylpropyl)benzamide,
AC1MS0ES,
SCHEMBL7090374,
CTK5E9176,
DTXSID00393808,
ZINC5481747,
BBL002092,
MFCD01811251,
STK520526,
AKOS000131685,
MCULE-6753619030,
AJ-54179,
W-8635,
CID3576679,
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| Complexity | 192 |
| 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 | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number