1,3,5-Triazine, 1,3,5-tributylhexahydro-
PubChem CID: 83069
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| Compound Synonyms | 1,3,5-Tributyl-1,3,5-triazinane, 13036-83-4, 1,3,5-Tributylhexahydro-1,3,5-triazine, 1,3,5-Triazine, 1,3,5-tributylhexahydro-, 1,3,5-Triazine,1,3,5-tributylhexahydro-, EINECS 235-905-1, DTXSID7065334, s-Triazine, 1,3,5-tributylhexahydro-, SCHEMBL5487662, DTXCID9033977, 1,3,5-Tributylhexahydro-s-triazine, BBL011091, MFCD00040462, STK802318, AKOS005622544, 1,3,5-Tributyl-1,3,5-triazinane #, DA-12821, Hexahydro-1,3,5-tri-n-butyl-S-triazine, VS-02832, NS00024104, 235-905-1 |
|---|---|
| Topological Polar Surface Area | 9.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5-tributyl-1,3,5-triazinane |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C15H33N3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OIQDTXAPPNRLAS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.692 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.179 |
| Compound Name | 1,3,5-Triazine, 1,3,5-tributylhexahydro- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.267 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.267 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 255.44 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4568395999999995 |
| Inchi | InChI=1S/C15H33N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-15H2,1-3H3 |
| Smiles | CCCCN1CN(CN(C1)CCCC)CCCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chimonanthus Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients