2-(4-Chloro-1H-pyrazol-1-yl)butan-1-amine - CAS 1172929-76-8
Catalog: |
BB052769 |
Product Name: |
2-(4-Chloro-1H-pyrazol-1-yl)butan-1-amine |
CAS: |
1172929-76-8 |
Synonyms: |
[2-(4-chloro-1H-pyrazol-1-yl)butyl]amine; 2-(4-chloropyrazolyl)butylamine |
IUPAC Name: | 2-(4-chloropyrazol-1-yl)butan-1-amine |
Molecular Weight: | 173.64 |
Molecular Formula: | C7H12ClN3 |
Canonical SMILES: | CCC(CN)N1C=C(C=N1)Cl |
InChI: | InChI=1S/C7H12ClN3/c1-2-7(3-9)11-5-6(8)4-10-11/h4-5,7H,2-3,9H2,1H3 |
InChI Key: | NBLKYAFDSSHUCM-UHFFFAOYSA-N |
Boiling Point: | 263.6±20.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0719751 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0719751 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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