| CAS Number | 1343630-75-0 |
| Catalog Number | AG01BDPD(AGN-PC-0WORO4) |
| Chemical Name | 1-[5-(butan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine |
| IUPAC Name | 1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine |
| InChI | InChI=1S/C8H16N4/c1-4-5(2)7-10-8(6(3)9)12-11-7/h5-6H,4,9H2,1-3H3,(H,10,11,12) |
| InChI Key | BGBBOYOXJQCQHL-UHFFFAOYSA-N |
| MDL Number | MFCD18872137 |
| Molecular Formula | C8H16N4 |
| Molecular Weight | 168.2394 |
| SMILES | CCC(C1NC(C(N)C)=NN=1)C |
| Synonyms | 1-[5-(butan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine,
1343630-75-0,
AKOS013027244,
MCULE-7982127163,
NE46788,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.244g/mol |
| Monoisotopic Mass | 168.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number