| CAS Number | 1060675-80-0 |
| Catalog Number | AG01A894 |
| Chemical Name | 3-[(3-Methylphenyl)amino]propanamide |
| IUPAC Name | 3-(3-methylanilino)propanamide |
| InChI | InChI=1S/C10H14N2O/c1-8-3-2-4-9(7-8)12-6-5-10(11)13/h2-4,7,12H,5-6H2,1H3,(H2,11,13) |
| InChI Key | AVBQFUYWQXFIFZ-UHFFFAOYSA-N |
| MDL Number | MFCD11205137 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.2310 |
| SMILES | CC1=CC(NCCC(N)=O)=CC=C1 |
| Synonyms | 3-[(3-methylphenyl)amino]propanamide,
1060675-80-0,
AC1Q2J53,
SCHEMBL4862020,
CTK7D3226,
ZINC36924265,
AKOS005188814,
MCULE-5934954614,
NE27139,
EN300-61055,
Z1262250807,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.235g/mol |
| Monoisotopic Mass | 178.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number