| CAS Number | 1027763-60-5 |
| Catalog Number | AG01BS5O |
| Chemical Name | 1-(3-Methylpyrazin-2-yl)ethan-1-amine |
| IUPAC Name | 1-(3-methylpyrazin-2-yl)ethanamine |
| InChI | InChI=1S/C7H11N3/c1-5(8)7-6(2)9-3-4-10-7/h3-5H,8H2,1-2H3 |
| InChI Key | ZSXDATROELJNEU-UHFFFAOYSA-N |
| MDL Number | MFCD26937645 |
| Molecular Formula | C7H11N3 |
| Molecular Weight | 137.1823 |
| SMILES | CC(C1=C(C)N=CC=N1)N |
| Synonyms | 1-(3-methylpyrazin-2-yl)ethan-1-amine,
1027763-60-5,
(1R)-1-(3-Methylpyrazin-2-yl)ethan-1-amine,
(1S)-1-(3-Methylpyrazin-2-yl)ethan-1-amine,
1689854-87-2,
1689884-00-1,
2-Pyrazinemethanamine, alpha,3-dimethyl-,
1-aminoethyl-2-methylpyrazine,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.186g/mol |
| Monoisotopic Mass | 137.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
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