| CAS Number | 1038373-35-1 |
| Catalog Number | AG01AA9G |
| Chemical Name | 1-(3-ethoxypropyl)-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | 1-(3-ethoxypropyl)benzimidazol-2-amine |
| InChI | InChI=1S/C12H17N3O/c1-2-16-9-5-8-15-11-7-4-3-6-10(11)14-12(15)13/h3-4,6-7H,2,5,8-9H2,1H3,(H2,13,14) |
| InChI Key | SKPQUWMXHZICPQ-UHFFFAOYSA-N |
| MDL Number | MFCD11202279 |
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.2829 |
| SMILES | CCOCCCN1C2=C(C=CC=C2)N=C1N |
| Synonyms | 1-(3-ethoxypropyl)-1H-1,3-benzodiazol-2-amine,
1038373-35-1,
AC1Q387D,
ZINC20586101,
AKOS008119714,
MCULE-5925968181,
NE36231,
EN300-67547,
Z234896647,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.288g/mol |
| Monoisotopic Mass | 219.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number