| CAS Number | 767343-19-1 |
| Catalog Number | AG00ICRI(AGN-PC-080G1T) |
| Chemical Name | 6-Bromo-N2-(cyclopropylmethyl)pyrazine-2,3-diamine |
| IUPAC Name | 5-bromo-3-N-(cyclopropylmethyl)pyrazine-2,3-diamine |
| InChI | InChI=1S/C8H11BrN4/c9-6-4-11-7(10)8(13-6)12-3-5-1-2-5/h4-5H,1-3H2,(H2,10,11)(H,12,13) |
| InChI Key | MBNGCNUPIQDFRN-UHFFFAOYSA-N |
| MDL Number | MFCD17676949 |
| Molecular Formula | C8H11BrN4 |
| Molecular Weight | 243.1037 |
| SMILES | Nc1ncc(Br)nc1NCC1CC1 |
| Synonyms | 767343-19-1,
5-Bromo-n3-cyclopropylmethyl-pyrazine-2,3-diamine,
6-Bromo-N2-(cyclopropylmethyl)pyrazine-2,3-diamine,
MFCD17676949,
ZINC66347239,
AKOS015899173,
CS-0036000,
2,3-Pyrazinediamine, 5-bromo-N3-(cyclopropylmethyl)-,
I14-12655,
5-bromo-3-N-(cyclopropylmethyl)pyrazine-2,3-diamine,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.108g/mol |
| Monoisotopic Mass | 242.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number