| CAS Number | 1152980-49-8 |
| Catalog Number | AG0099GL(AGN-PC-0WO3RL) |
| Chemical Name | 1-(Tert-Butyl)-1H-Pyrazol-3-Amine |
| IUPAC Name | 1-tert-butylpyrazol-3-amine |
| InChI | InChI=1S/C7H13N3/c1-7(2,3)10-5-4-6(8)9-10/h4-5H,1-3H3,(H2,8,9) |
| InChI Key | VLQPUERRGYFDSR-UHFFFAOYSA-N |
| MDL Number | MFCD11149273 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | CC(C)(C)N1C=CC(=N1)N |
| Synonyms | 1-tert-butyl-1H-pyrazol-3-amine,
1152980-49-8,
1-(TERT-BUTYL)-1H-PYRAZOL-3-AMINE,
AC1Q1MJY,
1-tert-butylpyrazol-3-amine,
SCHEMBL400899,
CTK6A9660,
DTXSID20529066,
VLQPUERRGYFDSR-UHFFFAOYSA-N,
1-tert-Butyl-3-amino-1H-pyrazole,
MFCD11149273,
ZINC19972445,
AKOS000249460,
MCULE-1905650388,
AJ-75847,
BS-13246,
SC-51949,
AM20080098,
EN300-43365,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.202g/mol |
| Monoisotopic Mass | 139.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number