| CAS Number | 197447-36-2 |
| Catalog Number | AG019YGK(AGN-PC-0O6Q5R) |
| Chemical Name | 5-(3-phenylpropyl)-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(3-phenylpropyl)-2H-tetrazole |
| InChI | InChI=1S/C10H12N4/c1-2-5-9(6-3-1)7-4-8-10-11-13-14-12-10/h1-3,5-6H,4,7-8H2,(H,11,12,13,14) |
| InChI Key | KWQGGCDOCUJFBV-UHFFFAOYSA-N |
| MDL Number | MFCD11156005 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| NSC Number | 11129 |
| SMILES | C(CC1=CC=CC=C1)CC1NN=NN=1 |
| Synonyms | 5-(3-phenylpropyl)-1H-1,2,3,4-tetrazole,
5-(3-phenylpropyl)-2H-tetrazole,
197447-36-2,
NSC11129,
AC1L5CKP,
SCHEMBL7819517,
SCHEMBL9986079,
CTK5J6228,
5-(3-Phenylpropyl)-1H-tetrazole,
ZINC1712729,
NSC-11129,
AKOS000261850,
MCULE-5509799954,
NE38568,
Z1349140681,
CID223458,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.234g/mol |
| Monoisotopic Mass | 188.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number