| CAS Number | 917909-47-8 |
| Catalog Number | AG006N3D(AGN-PC-0F5OXM) |
| Chemical Name | 4-Amino-3-ethoxybenzamide |
| IUPAC Name | 4-amino-3-ethoxybenzamide |
| InChI | InChI=1S/C9H12N2O2/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5H,2,10H2,1H3,(H2,11,12) |
| InChI Key | ITNGANDYYCLWII-UHFFFAOYSA-N |
| MDL Number | MFCD18338358 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CCOC1=C(N)C=CC(C(N)=O)=C1 |
| Synonyms | 4-amino-3-ethoxybenzamide,
917909-47-8,
Benzamide, 4-amino-3-ethoxy-,
4-amino-3-ethoxy-benzamide,
3-Ethoxy-4-amino-benzamide,
SCHEMBL1937682,
CTK3H9168,
DTXSID70734567,
ITNGANDYYCLWII-UHFFFAOYSA-N,
MFCD18338358,
ZINC71009934,
AKOS012661330,
KS-000019Z5,
CS-0037844,
CS-4182,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number