| CAS Number | 97383-20-5 |
| Catalog Number | AG006CHD(AGN-PC-0W7154) |
| Chemical Name | 4-(1H-Pyrazol-1-yl)butan-2-amine |
| IUPAC Name | 4-pyrazol-1-ylbutan-2-amine |
| InChI | InChI=1S/C7H13N3/c1-7(8)3-6-10-5-2-4-9-10/h2,4-5,7H,3,6,8H2,1H3 |
| InChI Key | IWZKYTFDBARHKM-UHFFFAOYSA-N |
| MDL Number | MFCD09864241 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | N1(CCC(C)N)C=CC=N1 |
| Synonyms | 4-(1H-pyrazol-1-yl)butan-2-amine,
97383-20-5,
CTK5H9272,
DTXSID00559846,
MFCD09864241,
4-(1H-Pyrazol-1-yl)-2-butanamine,
AKOS009265400,
Y-5665,
4-(1H-Pyrazol-1-yl)butan-2-amine, AldrichCPR,
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| Complexity | 94.9 |
| 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 | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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