| CAS Number | 1171471-37-6 |
| Catalog Number | AG00WLSR(AGN-PC-0WBQ9C) |
| Chemical Name | 1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine hydrochloride |
| IUPAC Name | 1-(1-phenyltetrazol-5-yl)piperazine;hydrochloride |
| InChI | InChI=1S/C11H14N6.ClH/c1-2-4-10(5-3-1)17-11(13-14-15-17)16-8-6-12-7-9-16;/h1-5,12H,6-9H2;1H |
| InChI Key | YMNFIFYKWLCZGL-UHFFFAOYSA-N |
| MDL Number | MFCD09971618 |
| Molecular Formula | C11H15ClN6 |
| Molecular Weight | 266.7300 |
| SMILES | Cl.C1NCCN(C2N(C3=CC=CC=C3)N=NN=2)C1 |
| Synonyms | 1-(1-phenyl-1H-tetrazol-5-yl)piperazine hydrochloride,
1171471-37-6,
1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine hydrochloride,
AC1Q38W9,
SCHEMBL3570335,
CTK7D1713,
YMNFIFYKWLCZGL-UHFFFAOYSA-N,
AKOS026677131,
MCULE-4577767241,
NE47140,
EN300-33309,
F2167-1191,
Z359419686,
198209-80-2,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.733g/mol |
| Monoisotopic Mass | 266.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number