| CAS Number | 1352305-18-0 |
| Catalog Number | AG00HTYO |
| Chemical Name | 2,3,4,5-Tetrahydro-1h-benzo[e][1,4]diazepin-8-amine DiHCl |
| IUPAC Name | 2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-amine;dihydrochloride |
| InChI | InChI=1S/C9H13N3.2ClH/c10-8-2-1-7-6-11-3-4-12-9(7)5-8;;/h1-2,5,11-12H,3-4,6,10H2;2*1H |
| InChI Key | XLWBJKJDANRPRR-UHFFFAOYSA-N |
| MDL Number | MFCD09878846 |
| Molecular Formula | C9H15Cl2N3 |
| Molecular Weight | 236.1415 |
| SMILES | Cl.Cl.NC1=CC=C2CNCCNC2=C1 |
| Synonyms | 2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPIN-8-YLAMINE 2HCL,
1352305-18-0,
MFCD20921683,
AS-38476,
2,3,4,5-Tetrahydro-1h-benzo[e][1,4]diazepin-8-amine DiHCl,
2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamine dihydrochloride,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.14g/mol |
| Monoisotopic Mass | 235.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number