| CAS Number | 1038705-22-4 |
| Catalog Number | AG019QYP |
| Chemical Name | 1-[2-(morpholin-4-yl)ethyl]-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C9H14N4O3/c14-9(15)8-7-13(11-10-8)2-1-12-3-5-16-6-4-12/h7H,1-6H2,(H,14,15) |
| InChI Key | KZISLBUJFANQNO-UHFFFAOYSA-N |
| MDL Number | MFCD11204200 |
| Molecular Formula | C9H14N4O3 |
| Molecular Weight | 226.2325 |
| SMILES | OC(C1N=NN(CCN2CCOCC2)C=1)=O |
| Synonyms | 1-[2-(morpholin-4-yl)ethyl]-1H-1,2,3-triazole-4-carboxylic acid,
1038705-22-4,
EN300-88645,
AC1Q73XE,
CTK7J1181,
ZINC20596774,
AKOS009297224,
MCULE-5994749504,
AB01000160-01,
Z425484774,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.236g/mol |
| Monoisotopic Mass | 226.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number