| CAS Number | 121238-82-2 |
| Catalog Number | AG01FAUV(AGN-PC-3H49H4) |
| Chemical Name | Tris(1H-1,2,3-benzotriazol-1-ylmethyl)amine |
| IUPAC Name | 1-(benzotriazol-1-yl)-N,N-bis(benzotriazol-1-ylmethyl)methanamine |
| InChI | InChI=1S/C21H18N10/c1-4-10-19-16(7-1)22-25-29(19)13-28(14-30-20-11-5-2-8-17(20)23-26-30)15-31-21-12-6-3-9-18(21)24-27-31/h1-12H,13-15H2 |
| InChI Key | CGTJPXSHORTCPU-UHFFFAOYSA-N |
| MDL Number | MFCD00956541 |
| Molecular Formula | C21H18N10 |
| Molecular Weight | 410.4346 |
| SMILES | N1(CN(CN2N=NC3=CC=CC=C32)CN4N=NC5=CC=CC=C54)N=NC6=CC=CC=C61 |
| Synonyms | AC1NPXXK,
ZINC32599314,
Tris(1H-benzotriazole-1-ylmethyl)amine,
Tris(1H-1,2,3-benzotriazol-1-ylmethyl)amine,
1-(benzotriazol-1-yl)-N,N-bis(benzotriazol-1-ylmethyl)methanamine,
121238-82-2,
CID5166291,
1-benzotriazol-1-yl-N,N-bis(benzotriazol-1-ylmethyl)methanamine,
|
| Complexity | 526 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.172g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.445g/mol |
| Monoisotopic Mass | 410.172g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number