3-Amino-4-(tert-butylamino)benzonitrile - CAS 320406-79-9
Catalog: |
BB074583 |
Product Name: |
3-Amino-4-(tert-butylamino)benzonitrile |
CAS: |
320406-79-9 |
Synonyms: |
3-Amino-4-[(1,1-dimethylethyl)amino]benzonitrile; 3-Amino-4-tert-butylaminobenzonitrile |
IUPAC Name: | 3-amino-4-(tert-butylamino)benzonitrile |
Description: | 3-Amino-4-(tert-butylamino)benzonitrile |
Molecular Weight: | 189.26 |
Molecular Formula: | C11H15N3 |
Canonical SMILES: | CC(C)(C)NC1=C(C=C(C=C1)C#N)N |
InChI: | InChI=1S/C11H15N3/c1-11(2,3)14-10-5-4-8(7-12)6-9(10)13/h4-6,14H,13H2,1-3H3 |
InChI Key: | OGNFTCWGTJULNT-UHFFFAOYSA-N |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.126597491 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.126597491 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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