6-(Isopropylamino)nicotinonitrile - CAS 160017-00-5
Catalog: |
BB011595 |
Product Name: |
6-(Isopropylamino)nicotinonitrile |
CAS: |
160017-00-5 |
Synonyms: |
6-(propan-2-ylamino)-3-pyridinecarbonitrile; 6-(propan-2-ylamino)pyridine-3-carbonitrile |
IUPAC Name: | 6-(propan-2-ylamino)pyridine-3-carbonitrile |
Description: | 6-(Isopropylamino)nicotinonitrile (CAS# 160017-00-5) is a useful research chemical. |
Molecular Weight: | 161.20 |
Molecular Formula: | C9H11N3 |
Canonical SMILES: | CC(C)NC1=NC=C(C=C1)C#N |
InChI: | InChI=1S/C9H11N3/c1-7(2)12-9-4-3-8(5-10)6-11-9/h3-4,6-7H,1-2H3,(H,11,12) |
InChI Key: | RADFWCOXMVHXNV-UHFFFAOYSA-N |
MDL: | MFCD09944214 |
LogP: | 1.84658 |
Publication Number | Title | Priority Date |
US-10206926-B2 | Quinazoline compounds | 20141224 |
US-10548898-B2 | Quinazoline compounds | 20141224 |
US-2016250215-A1 | Quinazoline compounds | 20141224 |
US-2017354656-A1 | Quinazoline Compounds | 20141224 |
US-2019134035-A1 | Quinazoline Compounds | 20141224 |
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: | 48.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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