| CAS Number | 1218314-52-3 |
| Catalog Number | AG01AABJ |
| Chemical Name | 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)amino]butanoic acid |
| IUPAC Name | 2-[(1-phenyltetrazol-5-yl)amino]butanoic acid |
| InChI | InChI=1S/C11H13N5O2/c1-2-9(10(17)18)12-11-13-14-15-16(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,17,18)(H,12,13,15) |
| InChI Key | JYCXIIPTSPNNAL-UHFFFAOYSA-N |
| MDL Number | MFCD12071845 |
| Molecular Formula | C11H13N5O2 |
| Molecular Weight | 247.2532 |
| SMILES | CCC(C(O)=O)NC1N(C2=CC=CC=C2)N=NN=1 |
| Synonyms | 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)amino]butanoic acid,
1218314-52-3,
AC1Q2SKA,
AKOS009506988,
MCULE-4578016706,
NE36105,
EN300-67792,
Z1160899455,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.258g/mol |
| Monoisotopic Mass | 247.107g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number