| CAS Number | 56636-90-9 |
| Catalog Number | AG00F09E(AGN-PC-0LWHHC) |
| Chemical Name | 4-((2-Nitrophenyl)amino)butanoic acid |
| IUPAC Name | 4-(2-nitroanilino)butanoic acid |
| InChI | InChI=1S/C10H12N2O4/c13-10(14)6-3-7-11-8-4-1-2-5-9(8)12(15)16/h1-2,4-5,11H,3,6-7H2,(H,13,14) |
| InChI Key | AXVZVHGJXZEPLP-UHFFFAOYSA-N |
| MDL Number | MFCD07339190 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | OC(CCCNC1=C([N+]([O-])=O)C=CC=C1)=O |
| Synonyms | 4-[(2-nitrophenyl)amino]butanoic Acid,
56636-90-9,
4-((2-Nitrophenyl)amino)butanoic acid,
AC1OEVTW,
AC1Q75IA,
4-(2-nitroanilino)butanoic acid,
CTK5A5481,
DTXSID80427690,
ZINC3888868,
AKOS000202129,
MCULE-3738108343,
NE53444,
Butanoic acid,4-[(2-nitrophenyl)amino]-,
EN300-14272,
Z64571538,
F1911-3502,
4-[ AMINO]BUTANOICACID,
CID7063992,
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| Complexity | 252 |
| 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 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number