2-(Isopropylamino)nicotinonitrile - CAS 28721-27-9
Catalog: |
BB060592 |
Product Name: |
2-(Isopropylamino)nicotinonitrile |
CAS: |
28721-27-9 |
Synonyms: |
2-(ISOPROPYLAMINO)NICOTINONITRILE; 2-(propan-2-ylamino)pyridine-3-carbonitrile; 2-[(propan-2-yl)amino]pyridine-3-carbonitrile |
IUPAC Name: | 2-(propan-2-ylamino)pyridine-3-carbonitrile |
Description: | 2-(Isopropylamino)nicotinonitrile |
Molecular Weight: | 161.2 |
Molecular Formula: | C9H11N3 |
Canonical SMILES: | CC(C)NC1=C(C=CC=N1)C#N |
InChI: | InChI=1S/C9H11N3/c1-7(2)12-9-8(6-10)4-3-5-11-9/h3-5,7H,1-2H3,(H,11,12) |
InChI Key: | GTFMJXOQGAWSJU-UHFFFAOYSA-N |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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