| CAS Number | 4714-64-1 |
| Catalog Number | AG0071LM(AGN-PC-0NLCY9) |
| Chemical Name | 4-(Propylamino)benzonitrile |
| IUPAC Name | 4-(propylamino)benzonitrile |
| InChI | InChI=1S/C10H12N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7H2,1H3 |
| InChI Key | LIXFWOACMYYMSI-UHFFFAOYSA-N |
| MDL Number | MFCD11135495 |
| Molecular Formula | C10H12N2 |
| Molecular Weight | 160.2157 |
| SMILES | CCCNc1ccc(cc1)C#N |
| Synonyms | 4-(Propylamino)benzonitrile,
4714-64-1,
Benzonitrile, 4-(propylamino)-,
4-Propylaminobenzonitrile,
ACMC-209k89,
SCHEMBL7520952,
CTK8B1725,
DTXSID90625180,
LIXFWOACMYYMSI-UHFFFAOYSA-N,
ANW-30487,
MFCD11135495,
ZINC19867410,
AKOS000218361,
AJ-75527,
CJ-16459,
TC-119232,
ST24023235,
V6078,
B-8705,
C10H12N2,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.22g/mol |
| Monoisotopic Mass | 160.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number