| CAS Number | 20000-05-9 |
| Catalog Number | AG01AIVV(AGN-PC-0WOSOI) |
| Chemical Name | 1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 1-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C10H13N3.2ClH/c1-7(11)10-12-8-5-3-4-6-9(8)13(10)2;;/h3-7H,11H2,1-2H3;2*1H |
| InChI Key | AQJPOIBKBWGJFN-UHFFFAOYSA-N |
| MDL Number | MFCD19686238 |
| Molecular Formula | C10H15Cl2N3 |
| Molecular Weight | 248.1522 |
| SMILES | Cl.Cl.CC(C1N(C)C2=C(C=CC=C2)N=1)N |
| Synonyms | 1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride,
20000-05-9,
AKOS026742600,
MCULE-6925761579,
NE17912,
NS-03629,
EN300-79174,
F2101-0215,
177407-17-9,
N/A,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.151g/mol |
| Monoisotopic Mass | 247.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number