| CAS Number | 1421602-82-5 |
| Catalog Number | AG01A170(AGN-PC-0WBCN2) |
| Chemical Name | 2-(4-nitro-1H-pyrazol-1-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(4-nitropyrazol-1-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C5H8N4O2.ClH/c6-1-2-8-4-5(3-7-8)9(10)11;/h3-4H,1-2,6H2;1H |
| InChI Key | BUVNXDJFXYSHCE-UHFFFAOYSA-N |
| MDL Number | MFCD22392196 |
| Molecular Formula | C5H9ClN4O2 |
| Molecular Weight | 192.6036 |
| SMILES | Cl.NCCN1N=CC([N+]([O-])=O)=C1 |
| Synonyms | 2-(4-nitro-1H-pyrazol-1-yl)ethan-1-amine hydrochloride,
1421602-82-5,
SCHEMBL16423527,
BUVNXDJFXYSHCE-UHFFFAOYSA-N,
AKOS024392519,
AKOS025212825,
MCULE-7137178430,
NE16924,
2-(4-nitro-1H-pyrazol-1-yl)ethanamine hydrochloride,
Z1456202094,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.603g/mol |
| Monoisotopic Mass | 192.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number