| CAS Number | 915920-47-7 |
| Catalog Number | AG00GTT0(AGN-PC-0WB43J) |
| Chemical Name | {5-[1-(Benzylamino)cyclohexyl]-1H-tetrazol-1-YL}acetic acid |
| IUPAC Name | 2-[5-[1-(benzylamino)cyclohexyl]tetrazol-1-yl]acetic acid |
| InChI | InChI=1S/C16H21N5O2/c22-14(23)12-21-15(18-19-20-21)16(9-5-2-6-10-16)17-11-13-7-3-1-4-8-13/h1,3-4,7-8,17H,2,5-6,9-12H2,(H,22,23) |
| InChI Key | GJKBWWNNNBCCQL-UHFFFAOYSA-N |
| MDL Number | MFCD08060071 |
| Molecular Formula | C16H21N5O2 |
| Molecular Weight | 315.3702 |
| SMILES | N1(CC(O)=O)N=NN=C1C1(CCCCC1)NCC1C=CC=CC=1 |
| Synonyms | 915920-47-7,
{5-[1-(BENZYLAMINO)CYCLOHEXYL]-1H-TETRAZOL-1-YL}ACETIC ACID,
CHEMBRDG-BB 4140246,
SCHEMBL17959443,
CTK5G9915,
DTXSID50651041,
ZX-CM014644,
MFCD08060071,
ZINC19093516,
AKOS027390884,
Y-3598,
4140246-25G,
CHEMBRDG-BB4140246,
2-[5-[1-(benzylamino)cyclohexyl]tetrazol-1-yl]acetic acid,
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| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.377g/mol |
| Monoisotopic Mass | 315.17g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number