| CAS Number | 1258641-50-7 |
| Catalog Number | AG01AAC9 |
| Chemical Name | 3-[(3-aminophenyl)formamido]propanamide hydrochloride |
| IUPAC Name | 3-amino-N-(3-amino-3-oxopropyl)benzamide;hydrochloride |
| InChI | InChI=1S/C10H13N3O2.ClH/c11-8-3-1-2-7(6-8)10(15)13-5-4-9(12)14;/h1-3,6H,4-5,11H2,(H2,12,14)(H,13,15);1H |
| InChI Key | PWBHMCLHSRDCFY-UHFFFAOYSA-N |
| MDL Number | MFCD17167146 |
| Molecular Formula | C10H14ClN3O2 |
| Molecular Weight | 243.6901 |
| SMILES | Cl.NC(CCNC(C1=CC(N)=CC=C1)=O)=O |
| Synonyms | 3-[(3-aminophenyl)formamido]propanamide hydrochloride,
1258641-50-7,
EN300-68190,
AC1Q3CSL,
AKOS030665663,
MCULE-9392148763,
NE32695,
Z1160899503,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.691g/mol |
| Monoisotopic Mass | 243.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number