| CAS Number | 13481-83-9 |
| Catalog Number | AG00HTSJ(AGN-PC-0WAMDM) |
| Chemical Name | 1,2,3,4,5,6-Hexahydrobenzo[b][1,5]diazocine |
| IUPAC Name | 1,2,3,4,5,6-hexahydro-1,5-benzodiazocine |
| InChI | InChI=1S/C10H14N2/c1-2-5-10-9(4-1)8-11-6-3-7-12-10/h1-2,4-5,11-12H,3,6-8H2 |
| InChI Key | HPUCAJGSVHDALO-UHFFFAOYSA-N |
| MDL Number | MFCD20665107 |
| Molecular Formula | C10H14N2 |
| Molecular Weight | 162.2316 |
| SMILES | C1CNCC2=CC=CC=C2NC1 |
| Synonyms | 1,2,3,4,5,6-Hexahydrobenzo[b][1,5]diazocine,
13481-83-9,
AK175273,
KS-00000T5S,
MFCD20665107,
ZINC39310136,
AKOS025402612,
DS-8985,
FCH1246136,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.236g/mol |
| Monoisotopic Mass | 162.116g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302
|
|
Packing Group
|
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number