| CAS Number | 81785-17-3 |
| Catalog Number | AG01A9VT(AGN-PC-0WOUFM) |
| Chemical Name | 5-(3-methylbutyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(3-methylbutyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C7H13N3O/c1-5(2)3-4-6-9-10-7(8)11-6/h5H,3-4H2,1-2H3,(H2,8,10) |
| InChI Key | ALBHVGCSKFERBN-UHFFFAOYSA-N |
| MDL Number | MFCD11170349 |
| Molecular Formula | C7H13N3O |
| Molecular Weight | 155.1976 |
| SMILES | CC(CCC1OC(N)=NN=1)C |
| Synonyms | 5-(3-methylbutyl)-1,3,4-oxadiazol-2-amine,
81785-17-3,
AC1Q1PBM,
ZINC20252026,
AKOS009218192,
NE27956,
EN300-66314,
Z1263529572,
2-Amino-5-isopentyl-1,3,4-oxadiazol,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.201g/mol |
| Monoisotopic Mass | 155.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number