| CAS Number | 1247986-29-3 |
| Catalog Number | AG01AGPZ(AGN-PC-0WO3HL) |
| Chemical Name | 3-(1H-1,2,4-triazol-1-yl)butan-2-amine |
| IUPAC Name | 3-(1,2,4-triazol-1-yl)butan-2-amine |
| InChI | InChI=1S/C6H12N4/c1-5(7)6(2)10-4-8-3-9-10/h3-6H,7H2,1-2H3 |
| InChI Key | YYLBLMYFEQNWIL-UHFFFAOYSA-N |
| MDL Number | MFCD14626564 |
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.1863 |
| SMILES | CC(C(N1N=CN=C1)C)N |
| Synonyms | 3-(1H-1,2,4-triazol-1-yl)butan-2-amine,
1247986-29-3,
AC1Q2B5T,
AKOS010608013,
MCULE-7276995350,
NE56703,
EN300-72535,
Z1266823301,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.19g/mol |
| Monoisotopic Mass | 140.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number