| CAS Number | 1507370-20-8 |
| Catalog Number | AG00AT9S(AGN-PC-0WG52R) |
| Chemical Name | N1,N2-Bis[[4-(2-pyridinyl)phenyl]methyl]- 1,2-ethanediamine |
| IUPAC Name | N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine |
| InChI | InChI=1S/C26H26N4/c1-3-15-29-25(5-1)23-11-7-21(8-12-23)19-27-17-18-28-20-22-9-13-24(14-10-22)26-6-2-4-16-30-26/h1-16,27-28H,17-20H2 |
| InChI Key | IXEPQJQQSLMESJ-UHFFFAOYSA-N |
| MDL Number | MFCD28118991 |
| Molecular Formula | C26H26N4 |
| Molecular Weight | 394.5114 |
| SMILES | C1=CC=NC(=C1)C2=CC=C(C=C2)CNCCNCC3=CC=C(C=C3)C4=CC=CC=N4 |
| Synonyms | BC-1215,
BC-1215,
1507370-20-8,
C26H26N4,
SCHEMBL16781356,
AOB4428,
SYN5093,
ZINC205895150,
AS-16457,
N1,N2-Bis[[4-(2-pyridinyl)phenyl]methyl]- 1,2-ethanediamine,
IXEPQJQQSLMESJ-UHFFFAOYSA-N,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.522g/mol |
| Monoisotopic Mass | 394.216g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number