2-(Isobutylamino)benzonitrile - CAS 204078-86-4
Catalog: |
BB063873 |
Product Name: |
2-(Isobutylamino)benzonitrile |
CAS: |
204078-86-4 |
Synonyms: |
2-(Isobutylamino)benzonitrile; 2-(2-Methylpropylamino)benzonitrile; 2-Isobutylaminobenzonitrile |
IUPAC Name: | 2-(2-methylpropylamino)benzonitrile |
Description: | 2-(Isobutylamino)benzonitrile |
Molecular Weight: | 174.24 |
Molecular Formula: | C11H14N2 |
Canonical SMILES: | CC(C)CNC1=CC=CC=C1C#N |
InChI: | InChI=1S/C11H14N2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-6,9,13H,8H2,1-2H3 |
InChI Key: | VVPNLPFXYUZQSI-UHFFFAOYSA-N |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.115698455 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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