| CAS Number | 642459-37-8 |
| Catalog Number | AG01ACU9(AGN-PC-0N4IV3) |
| Chemical Name | 6-Chloro-N-isobutylpyrazin-2-amine |
| IUPAC Name | 6-chloro-N-(2-methylpropyl)pyrazin-2-amine |
| InChI | InChI=1S/C8H12ClN3/c1-6(2)3-11-8-5-10-4-7(9)12-8/h4-6H,3H2,1-2H3,(H,11,12) |
| InChI Key | FECYIZSEVLCHGW-UHFFFAOYSA-N |
| MDL Number | MFCD13562465 |
| Molecular Formula | C8H12ClN3 |
| Molecular Weight | 185.6540 |
| SMILES | CC(CNC1=NC(Cl)=CN=C1)C |
| Synonyms | 6-chloro-N-(2-methylpropyl)pyrazin-2-amine,
642459-37-8,
6-CHLORO-N-ISOBUTYL-2-PYRAZINAMINE,
6-Chloro-N-isobutylpyrazin-2-amine,
2-Pyrazinamine, 6-chloro-N-(2-methylpropyl)-,
SCHEMBL6664103,
CTK6A8677,
ZINC38865871,
AKOS009106488,
NE43209,
AJ-97014,
RT-003761,
5,7-Dihydro-2-Methylthieno[3,4-d]Pyrimidine;Popcorn Aroma,
CID10442420,
36267-71-7,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.655g/mol |
| Monoisotopic Mass | 185.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number