| CAS Number | 916201-63-3 |
| Catalog Number | AG019UT5(AGN-PC-0WO8BA) |
| Chemical Name | 5-(1-aminoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one |
| IUPAC Name | 5-(1-aminoethyl)-1,3-dihydrobenzimidazol-2-one |
| InChI | InChI=1S/C9H11N3O/c1-5(10)6-2-3-7-8(4-6)12-9(13)11-7/h2-5H,10H2,1H3,(H2,11,12,13) |
| InChI Key | TVMDKCSLHDNETL-UHFFFAOYSA-N |
| MDL Number | MFCD11131339 |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| SMILES | CC(C1=CC2=C(NC(N2)=O)C=C1)N |
| Synonyms | 5-(1-aminoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one,
916201-63-3,
5-(1-aminoethyl)-1H-benzo[d]imidazol-2(3H)-one,
AC1Q2B9A,
SCHEMBL265030,
CTK6A5375,
AKOS000212132,
AKOS022410348,
AKOS023779580,
MCULE-4359811438,
NE53482,
EN300-42730,
AB00999689-01,
Z444349634,
2H-Benzimidazol-2-one, 5-(1-aminoethyl)-1,3-dihydro-,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.207g/mol |
| Monoisotopic Mass | 177.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number