| CAS Number | 1515908-30-1 |
| Catalog Number | AG01BIPC |
| Chemical Name | 1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine |
| IUPAC Name | 1-(1-methyltriazol-4-yl)ethanamine |
| InChI | InChI=1S/C5H10N4/c1-4(6)5-3-9(2)8-7-5/h3-4H,6H2,1-2H3 |
| InChI Key | CPIUETQFTNIZMQ-UHFFFAOYSA-N |
| MDL Number | MFCD29495427 |
| Molecular Formula | C5H10N4 |
| Molecular Weight | 126.1597 |
| SMILES | CC(C1N=NN(C)C=1)N |
| Synonyms | 1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine,
(1R)-1-(1-Methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine,
(1S)-1-(1-Methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine,
1515908-30-1,
1841099-77-1,
1841620-01-6,
SCHEMBL12854188,
AKOS022902795,
|
| Complexity | 95 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.163g/mol |
| Monoisotopic Mass | 126.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
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Certificate of Analysis
Lot Number