| CAS Number | 143173-92-6 |
| Catalog Number | AG009X0T(AGN-PC-0WO9X9) |
| Chemical Name | 3-Amino-4-(butylamino)benzonitrile |
| IUPAC Name | 3-amino-4-(butylamino)benzonitrile |
| InChI | InChI=1S/C11H15N3/c1-2-3-6-14-11-5-4-9(8-12)7-10(11)13/h4-5,7,14H,2-3,6,13H2,1H3 |
| InChI Key | RNCJOEPIGOZWEB-UHFFFAOYSA-N |
| MDL Number | MFCD12189572 |
| Molecular Formula | C11H15N3 |
| Molecular Weight | 189.2569 |
| SMILES | CCCCNc1ccc(cc1N)C#N |
| Synonyms | 3-amino-4-(butylamino)benzonitrile,
143173-92-6,
3-amino-4-butylaminobenzonitrile,
ZINC35674340,
CJ-18831,
V3236,
C11H15N3,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.262g/mol |
| Monoisotopic Mass | 189.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number