| CAS Number | 1820603-79-9 |
| Catalog Number | AG00I0FZ |
| Chemical Name | N-(2-Butylaminoethyl)-4-nitroaniline |
| IUPAC Name | N-butyl-N'-(4-nitrophenyl)ethane-1,2-diamine |
| InChI | InChI=1S/C12H19N3O2/c1-2-3-8-13-9-10-14-11-4-6-12(7-5-11)15(16)17/h4-7,13-14H,2-3,8-10H2,1H3 |
| InChI Key | QKOWUHLRFYQLLJ-UHFFFAOYSA-N |
| MDL Number | MFCD28252208 |
| Molecular Formula | C12H19N3O2 |
| Molecular Weight | 237.2982 |
| SMILES | CCCCNCCNc1ccc(cc1)[N+](=O)[O-] |
| Synonyms | N-(2-Butylaminoethyl)-4-nitroaniline,
1820603-79-9,
N1-Butyl-N2-(4-nitrophenyl)ethane-1,2-diamine,
AKOS027371607,
ZINC216703355,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.303g/mol |
| Monoisotopic Mass | 237.148g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 69.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number