| CAS Number | 87962-89-8 |
| Catalog Number | AG004G9K(AGN-PC-0LK9DT) |
| Chemical Name | 4-((4-Nitrophenyl)amino)butanoic acid |
| IUPAC Name | 4-(4-nitroanilino)butanoic acid |
| InChI | InChI=1S/C10H12N2O4/c13-10(14)2-1-7-11-8-3-5-9(6-4-8)12(15)16/h3-6,11H,1-2,7H2,(H,13,14) |
| InChI Key | BTWRFZZFMXEFQG-UHFFFAOYSA-N |
| MDL Number | MFCD07325339 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | O=C(O)CCCNC1=CC=C([N+]([O-])=O)C=C1 |
| Synonyms | 4-[(4-nitrophenyl)amino]butanoic Acid,
87962-89-8,
Butanoic acid,4-[(4-nitrophenyl)amino]-,
4-(4-nitroanilino)butanoic acid,
4-((4-Nitrophenyl)amino)butanoic acid,
AC1NLR4F,
AC1Q75IC,
SCHEMBL9509667,
CTK5F9202,
DTXSID70407163,
ZINC3888851,
AKOS000202130,
MCULE-9787646951,
NE13528,
4-[(4-Nitro-phenyl)amino]butanoic acid,
EN300-13989,
J-514206,
Z64571550,
4-[ AMINO]BUTANOICACID,
CID4962770,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number