| CAS Number | 56367-25-0 |
| Catalog Number | AG01A7RS(AGN-PC-0599PY) |
| Chemical Name | 3-sec-Butyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-butan-2-yl-1H-pyrazol-3-amine |
| InChI | InChI=1S/C7H13N3/c1-3-5(2)6-4-7(8)10-9-6/h4-5H,3H2,1-2H3,(H3,8,9,10) |
| InChI Key | HGIUJMQEDPSCJR-UHFFFAOYSA-N |
| MDL Number | MFCD09996899 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | CCC(C1=NNC(N)=C1)C |
| Synonyms | 3-sec-Butyl-1H-pyrazol-5-amine,
3-(butan-2-yl)-1H-pyrazol-5-amine,
56367-25-0,
AC1Q2S84,
SCHEMBL3932775,
CTK6A4541,
DTXSID40480564,
AKOS009236568,
NE61865,
5-(1-Methylpropyl)-1H-pyrazol-3-amine,
EN300-59624,
|
| Complexity | 105 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.202g/mol |
| Monoisotopic Mass | 139.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number