| CAS Number | 1423034-85-8 |
| Catalog Number | AG01A2TH(AGN-PC-0WOWON) |
| Chemical Name | 1-(1H-Pyrazol-4-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(1H-pyrazol-4-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C5H9N3.ClH/c1-4(6)5-2-7-8-3-5;/h2-4H,6H2,1H3,(H,7,8);1H |
| InChI Key | IRZNWLHKXUCDOR-UHFFFAOYSA-N |
| MDL Number | MFCD22628368 |
| Molecular Formula | C5H10ClN3 |
| Molecular Weight | 147.6060 |
| SMILES | Cl.CC(C1=CNN=C1)N |
| Synonyms | 1-(1H-pyrazol-4-yl)ethan-1-amine hydrochloride,
1423034-85-8,
AKOS026745324,
NE23419,
1-(1H-PYRAZOL-4-YL)ETHANAMINE HCL,
ACN-054922,
ACN-054924,
ACN-054926,
(R)-1-(1H-pyrazol-4-yl)ethan-1-amine hydrochloride,
(S)-1-(1H-pyrazol-4-yl)ethan-1-amine hydrochloride,
1-(1H-Pyrazol-4-yl)ethan-1-amine hydrochloride, 97% - 1G 1g,
|
| Complexity | 74.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.606g/mol |
| Monoisotopic Mass | 147.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number