| CAS Number | 1410821-12-3 |
| Catalog Number | AG00J2MM(AGN-PC-0WB62S) |
| Chemical Name | 4-benzyl-1,4-diazepane-1-carboximidamide |
| IUPAC Name | 4-benzyl-1,4-diazepane-1-carboximidamide |
| InChI | InChI=1S/C13H20N4/c14-13(15)17-8-4-7-16(9-10-17)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H3,14,15) |
| InChI Key | MEJIWJKUZRWOQX-UHFFFAOYSA-N |
| MDL Number | MFCD22575203 |
| Molecular Formula | C13H20N4 |
| Molecular Weight | 232.3247 |
| SMILES | C(N)(=N)N1CCCN(CC2C=CC=CC=2)CC1 |
| Synonyms | 4-benzyl-1,4-diazepane-1-carboximidamide,
1410821-12-3,
ALBB-031171,
ZX-CM010131,
MFCD22575203,
ZINC81947185,
AKOS027426428,
FCH2893077,
BBV-76026177,
Y-8512,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.331g/mol |
| Monoisotopic Mass | 232.169g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number