| CAS Number | 34752-76-6 |
| Catalog Number | AG01AJVV |
| Chemical Name | 1-benzyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine |
| IUPAC Name | 5-benzyl-1,2,3,4-tetrahydro-1,5-benzodiazepine |
| InChI | InChI=1S/C16H18N2/c1-2-7-14(8-3-1)13-18-12-6-11-17-15-9-4-5-10-16(15)18/h1-5,7-10,17H,6,11-13H2 |
| InChI Key | YUBSXLDZMXWICV-UHFFFAOYSA-N |
| MDL Number | MFCD19686429 |
| Molecular Formula | C16H18N2 |
| Molecular Weight | 238.3275 |
| SMILES | C(C1=CC=CC=C1)N1C2=C(C=CC=C2)NCCC1 |
| Synonyms | 1-benzyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine,
34752-76-6,
ZINC68576705,
AKOS017500323,
MCULE-9852927730,
NE21186,
EN300-82043,
Z1250092422,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.334g/mol |
| Monoisotopic Mass | 238.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number