4-(Isopropylamino)benzonitrile - CAS 204078-26-2
Catalog: |
BB060586 |
Product Name: |
4-(Isopropylamino)benzonitrile |
CAS: |
204078-26-2 |
Synonyms: |
4-(Isopropylamino)benzonitrile; 4-(propan-2-ylamino)benzonitrile; 4-[(Propan-2-yl)amino]benzonitrile; 4-Isopropylaminobenzonitrile |
IUPAC Name: | 4-(propan-2-ylamino)benzonitrile |
Description: | 4-(Isopropylamino)benzonitrile |
Molecular Weight: | 160.22 |
Molecular Formula: | C10H12N2 |
Canonical SMILES: | CC(C)NC1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C10H12N2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,12H,1-2H3 |
InChI Key: | DFJUAQRBUUGSNE-UHFFFAOYSA-N |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.100048391 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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