| CAS Number | 549488-78-0 |
| Catalog Number | AG00DKKT(AGN-PC-0MWF1A) |
| Chemical Name | 2-Amino-5-ethoxybenzonitrile |
| IUPAC Name | 2-amino-5-ethoxybenzonitrile |
| InChI | InChI=1S/C9H10N2O/c1-2-12-8-3-4-9(11)7(5-8)6-10/h3-5H,2,11H2,1H3 |
| InChI Key | XEWLJDPOAWFEGL-UHFFFAOYSA-N |
| MDL Number | MFCD17168771 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | CCOC1=CC(C#N)=C(N)C=C1 |
| Synonyms | 2-Amino-5-ethoxybenzonitrile,
549488-78-0,
SCHEMBL11796509,
CTK8J2045,
Benzonitrile, 2-amino-5-ethoxy-,
ZINC34049658,
AKOS017518400,
CJ-18152,
V6563,
2-amino-5-ethoxy-benzonitrile,
C9H10N2O,
Benzonitrile,2-amino-5-ethoxy-,
Benzonitrile, 2-amino-5-ethoxy-,
CID9964183,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number