| CAS Number | 938517-08-9 |
| Catalog Number | AG01A8S1 |
| Chemical Name | 3-amino-N-(3-chloro-2-methylphenyl)propanamide |
| IUPAC Name | 3-amino-N-(3-chloro-2-methylphenyl)propanamide |
| InChI | InChI=1S/C10H13ClN2O/c1-7-8(11)3-2-4-9(7)13-10(14)5-6-12/h2-4H,5-6,12H2,1H3,(H,13,14) |
| InChI Key | RLFLKIGVLRYSJK-UHFFFAOYSA-N |
| MDL Number | MFCD09726265 |
| Molecular Formula | C10H13ClN2O |
| Molecular Weight | 212.6760 |
| SMILES | CC1=C(NC(CCN)=O)C=CC=C1Cl |
| Synonyms | 3-amino-N-(3-chloro-2-methylphenyl)propanamide,
938517-08-9,
AC1Q2FT9,
ZINC11755242,
AKOS000177058,
MCULE-8748029268,
NE25396,
EN300-62422,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.677g/mol |
| Monoisotopic Mass | 212.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number