| CAS Number | 6280-34-8 |
| Catalog Number | AG01A30R |
| Chemical Name | 5-Cyclohexyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-cyclohexyl-2H-tetrazole |
| InChI | InChI=1S/C7H12N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h6H,1-5H2,(H,8,9,10,11) |
| InChI Key | KIHDBKOCKDPBTR-UHFFFAOYSA-N |
| MDL Number | MFCD11155440 |
| Molecular Formula | C7H12N4 |
| Molecular Weight | 152.1970 |
| NSC Number | 11115 |
| SMILES | C1CCC(C2NN=NN=2)CC1 |
| Synonyms | 5-cyclohexyl-1H-1,2,3,4-tetrazole,
5-cyclohexyl-2h-tetrazole,
6280-34-8,
5-cyclohexyl-1H-tetrazole,
NSC11115,
AC1L5CKF,
AC1Q4XK4,
SCHEMBL2704429,
SCHEMBL13783347,
DTXSID60279038,
ZINC389676,
NSC-11115,
AKOS000263150,
NE53354,
5-cyclohexyl-1H-tetraazole,
AR-1G7900,
CID223448,
68877-18-9,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.201g/mol |
| Monoisotopic Mass | 152.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number