3-Amino-4-(phenylamino)benzonitrile - CAS 68765-52-6
Catalog: |
BB033629 |
Product Name: |
3-Amino-4-(phenylamino)benzonitrile |
CAS: |
68765-52-6 |
Synonyms: |
3-amino-4-anilinobenzonitrile; 3-amino-4-anilinobenzonitrile |
IUPAC Name: | 3-amino-4-anilinobenzonitrile |
Description: | 3-Amino-4-(phenylamino)benzonitrile (CAS# 68765-52-6) is a useful research chemical. |
Molecular Weight: | 209.25 |
Molecular Formula: | C13H11N3 |
Canonical SMILES: | C1=CC=C(C=C1)NC2=C(C=C(C=C2)C#N)N |
InChI: | InChI=1S/C13H11N3/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-8,16H,15H2 |
InChI Key: | IQOJDSWWUHQSEO-UHFFFAOYSA-N |
LogP: | 3.53828 |
Publication Number | Title | Priority Date |
CN-105820122-A | Organic electroluminescent materials and devices | 20150125 |
US-10418569-B2 | Organic electroluminescent materials and devices | 20150125 |
US-2016218303-A1 | Organic electroluminescent materials and devices | 20150125 |
US-2007060633-A1 | Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | 20050610 |
US-7622594-B2 | Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | 20050610 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Related Functional Groups
Amines and Anilines
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