| CAS Number | 1016513-12-4 |
| Catalog Number | AG018MVW(AGN-PC-0WO2ZN) |
| Chemical Name | 5-Neopentyl-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C7H13N3O/c1-7(2,3)4-5-9-10-6(8)11-5/h4H2,1-3H3,(H2,8,10) |
| InChI Key | ZMJAXKZCBXJOSA-UHFFFAOYSA-N |
| MDL Number | MFCD09802647 |
| Molecular Formula | C7H13N3O |
| Molecular Weight | 155.1976 |
| SMILES | CC(CC1=NN=C(O1)N)(C)C |
| Synonyms | 5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine,
1016513-12-4,
5-neopentyl-1,3,4-oxadiazol-2-amine,
AC1Q1MIA,
CTK6A7211,
DTXSID70602696,
ZINC19384830,
AKOS000155136,
AKOS008101119,
MCULE-6054059737,
NE30974,
EN300-66444,
F2158-1512,
|
| Complexity | 132 |
| 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 | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number