| CAS Number | 1266843-37-1 |
| Catalog Number | AG009EPU(AGN-PC-0WODOY) |
| Chemical Name | 1-benzyl-7-methyl-1,4-diazepane |
| IUPAC Name | 1-benzyl-7-methyl-1,4-diazepane |
| InChI | InChI=1S/C13H20N2/c1-12-7-8-14-9-10-15(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3 |
| InChI Key | RGKDAJPPEVSFBH-UHFFFAOYSA-N |
| MDL Number | MFCD19286034 |
| Molecular Formula | C13H20N2 |
| Molecular Weight | 204.3113 |
| SMILES | CC1N(CC2=CC=CC=C2)CCNCC1 |
| Synonyms | 1-benzyl-7-methyl-1,4-diazepane,
1266843-37-1,
Hexahydro-7-methyl-1-(phenylmethyl)-1H-1,4-diazepine,
SCHEMBL19231651,
AKOS013907539,
MCULE-8910650782,
NE20898,
F8881-7540,
Z1272739412,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.317g/mol |
| Monoisotopic Mass | 204.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number