| CAS Number | 926237-37-8 |
| Catalog Number | AG006FST(AGN-PC-0WB3UT) |
| Chemical Name | N-(3-Amino-2-methylphenyl)-3-methylbutanamide |
| IUPAC Name | N-(3-amino-2-methylphenyl)-3-methylbutanamide |
| InChI | InChI=1S/C12H18N2O/c1-8(2)7-12(15)14-11-6-4-5-10(13)9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15) |
| InChI Key | WTJRQPZPPXOYBY-UHFFFAOYSA-N |
| MDL Number | MFCD09043574 |
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.2841 |
| SMILES | C1(C)=C(C=CC=C1NC(CC(C)C)=O)N |
| Synonyms | N-(3-AMINO-2-METHYLPHENYL)-3-METHYLBUTANAMIDE,
926237-37-8,
CTK5H1505,
DTXSID50588181,
ZINC8703434,
3408AF,
MFCD09043574,
STL411742,
AKOS000101364,
MCULE-4362427520,
AJ-58643,
Y-4861,
N- -3-methylbutanamide,
C12H18N2O,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.289g/mol |
| Monoisotopic Mass | 206.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number