| CAS Number | 124638-99-9 |
| Catalog Number | AG000MI6(AGN-PC-0NGD2J) |
| Chemical Name | 1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl- |
| IUPAC Name | 1-dodecyl-1,2,4-triazole-3,5-diamine |
| InChI | InChI=1S/C14H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(16)17-13(15)18-19/h2-12H2,1H3,(H4,15,16,17,18) |
| InChI Key | UWNVDVNPQBGXLF-UHFFFAOYSA-N |
| MDL Number | MFCD32206255 |
| Molecular Formula | C14H29N5 |
| Molecular Weight | 267.4136 |
| SMILES | CCCCCCCCCCCCn1nc(nc1N)N |
| Synonyms | 1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-,
124638-99-9,
ACMC-20mr50,
CTK0C2543,
DTXSID80456304,
1-Dodecyl-3,5-diamino-1H-1,2,4-triazole,
CID11129290,
1-dodecyl-1,2,4-triazole-3,5-diamine,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.242g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.421g/mol |
| Monoisotopic Mass | 267.242g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
Lot Number