| CAS Number | 953751-30-9 |
| Catalog Number | AG01B14X(AGN-PC-0WORPV) |
| Chemical Name | 3-Amino-N-(cyclopropylmethyl)-4-methylbenzamide |
| IUPAC Name | 3-amino-N-(cyclopropylmethyl)-4-methylbenzamide |
| InChI | InChI=1S/C12H16N2O/c1-8-2-5-10(6-11(8)13)12(15)14-7-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15) |
| InChI Key | TXLSMABMMPHUCH-UHFFFAOYSA-N |
| MDL Number | MFCD09729827 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CC1=C(N)C=C(C(NCC2CC2)=O)C=C1 |
| Synonyms | 3-AMINO-N-(CYCLOPROPYLMETHYL)-4-METHYLBENZAMIDE,
953751-30-9,
CTK7F6681,
ZINC22168152,
AKOS000138357,
NE33423,
A1-07052,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number