Basic information
- CAS
2533-20-2- Standard SMILES
CCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1- InChIKey
YZVJFFKAKLWXOE-UHFFFAOYSA-N- Molecular formula
- C20H39N5
- Average molar mass
- 349.6 g/mol
- Monoisotopic mass
- 349.32054627
Names & identifiers
- Preferred name
- 6-Heptadecyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-heptadecyl-1,3,5-triazine-2,4-diamine
- English name
- STEAROGUANAMINE
- Molecular formula
- C20H39N5
- Molecular weight
- 349.56
Names & synonyms
2533-20-26-Heptadecyl-1,3,5-triazine-2,4-diamineNSC 7780EINECS 219-794-7DTXSID30179970RefChem:104671DTXCID90102461219-794-7STEAROGUANAMINEFD3S8FKZ6ZNSC-77802,4-DIAMINO-6-HEPTADECYL-S-TRIAZINE
Show more names
(4-amino-6-heptadecyl-s-triazin-2-yl)amine
NSC7780UNII-FD3S8FKZ6ZSCHEMBL9488393YZVJFFKAKLWXOE-UHFFFAOYSA-Ns-Triazine, 2,4-diamino-6-heptadecyl-NS000278641,3,5-Triazine-2,4-diamine, 6-heptadecyl-
Database identifiers
- CAS
2533-20-2- PubChem CID
- 17329
- DTXSID
DTXSID30179970- UNII
- FD3S8FKZ6Z
- EC Number
- 219-794-7
- Nikkaji
- J192.022G
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 116 · 116-117 °C
- Boiling point
- 537.2 · 537.2±33.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.10(Predicted)
- FDA UNII
- 3 S8FKZ6Z · FD3S8FKZ6Z
Chemistry & industry
Suppliers3 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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