| CAS Number | 887595-85-9 |
| Catalog Number | AG004D0O(AGN-PC-09RNVB) |
| Chemical Name | 1-(4-Aminophenyl)azetidine-3-carboxylic acid |
| IUPAC Name | 1-(4-aminophenyl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-7(6-12)10(13)14/h1-4,7H,5-6,11H2,(H,13,14) |
| InChI Key | JARYMOYIHDKMCS-UHFFFAOYSA-N |
| MDL Number | MFCD07787203 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | OC(=O)C1CN(C1)c1ccc(cc1)N |
| Synonyms | 887595-85-9,
1-(4-Aminophenyl)azetidine-3-carboxylic acid,
1-(4-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID,
3-Azetidinecarboxylicacid, 1-(4-aminophenyl)-,
CTK3E7133,
DTXSID30695064,
KM2754,
MFCD07787203,
ZINC90693616,
AKOS006287603,
SC-59699,
1- -AZETIDINE-3-CARBOXYLICACID,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number