| CAS Number | 1267600-33-8 |
| Catalog Number | AG01B1QE(AGN-PC-0WOSIZ) |
| Chemical Name | 1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)ethan-1-amine |
| IUPAC Name | 1-(1-methyltetrazol-5-yl)ethanamine |
| InChI | InChI=1S/C4H9N5/c1-3(5)4-6-7-8-9(4)2/h3H,5H2,1-2H3 |
| InChI Key | KBKIWOOIWANUJL-UHFFFAOYSA-N |
| MDL Number | MFCD19283547 |
| Molecular Formula | C4H9N5 |
| Molecular Weight | 127.1478 |
| SMILES | CC(C1N(C)N=NN=1)N |
| Synonyms | 1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)ethan-1-amine,
1267600-33-8,
SCHEMBL19736812,
AKOS022466901,
MCULE-5324592330,
NE32032,
Z1827898545,
|
| Complexity | 95 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.151g/mol |
| Monoisotopic Mass | 127.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
Lot Number