| CAS Number | 1138220-46-8 |
| Catalog Number | AG01ACQT(AGN-PC-0WNLF8) |
| Chemical Name | 1-(6-Chloropyrazin-2-yl)azepane |
| IUPAC Name | 1-(6-chloropyrazin-2-yl)azepane |
| InChI | InChI=1S/C10H14ClN3/c11-9-7-12-8-10(13-9)14-5-3-1-2-4-6-14/h7-8H,1-6H2 |
| InChI Key | UPIUWWQVYQXMQN-UHFFFAOYSA-N |
| MDL Number | MFCD13561858 |
| Molecular Formula | C10H14ClN3 |
| Molecular Weight | 211.6913 |
| SMILES | ClC1=NC(N2CCCCCC2)=CN=C1 |
| Synonyms | 1-(6-chloropyrazin-2-yl)azepane,
1-(6-CHLORO-2-PYRAZINYL)AZEPANE,
1138220-46-8,
1-(6-chloropyrazin-2-yl)perhydroazepine,
CTK6H3673,
ZINC42783556,
AKOS009106540,
NE46638,
AJ-107413,
TR-068756,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.693g/mol |
| Monoisotopic Mass | 211.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number