| CAS Number | 138666-59-8 |
| Catalog Number | AG0018YV(AGN-PC-0PN3N2) |
| Chemical Name | Hydrogen tribromide, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1) |
| IUPAC Name | molecular bromine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;hydrobromide |
| InChI | InChI=1S/C9H16N2.Br2.BrH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-2;/h1-8H2;;1H |
| InChI Key | QRUHFOGNKQZFMD-UHFFFAOYSA-N |
| MDL Number | MFCD00191982 |
| Molecular Formula | C9H17Br3N2 |
| Molecular Weight | 392.9567 |
| SMILES | [H]Br.BrBr.N12CCCCCC1=NCCC2 |
| Synonyms | 138666-59-8,
1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide,
1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE HYDROTRIBROMIDE,
MFCD00191982,
C9H17Br3N2,
1,8-Diazabicyclo[5.4.0]-7-undecene hydrogen tribromide, 98%,
1,8-Diazabicyclo[5.4.0]undec-7-ene, compound with hydrogen tribromide (1:1),
1,8-Diazabicyclo[5.4.0]undec-7-ene, compound with hydrogen tribromide (1:1), 97%,
1,8-Diazabicyclo[5.4.0]-7-undecene hydrogen tribromide, 98% - 1G 1g,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.892g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.961g/mol |
| Monoisotopic Mass | 389.894g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 3260
|
Certificate of Analysis
Lot Number