Basic information
- CAS
1771-03-5- Standard SMILES
CCCN1CNC(=O)NC1- InChIKey
DOKOLURCKPWOMU-UHFFFAOYSA-N- Molecular formula
- C6H13N3O
- Average molar mass
- 143.19 g/mol
- Monoisotopic mass
- 143.10586205
Names & identifiers
- Preferred name
- tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one
- IUPAC
- 5-propyl-1,3,5-triazinan-2-one
- English name
- tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one
- Molecular formula
- C6H13N3O
- Molecular weight
- 143.19
Names & synonyms
1771-03-5Tetrahydro-5-propyl-1,3,5-triazin-2(1H)-oneEINECS 217-193-4DTXSID10170248RefChem:188635DTXCID1092739217-193-45-propyl-1,3,5-triazinan-2-oneSCHEMBL268470DOKOLURCKPWOMU-UHFFFAOYSA-NAKOS006348556NS00025835
Show more names
1,3,5-Triazin-2(1H)-one, tetrahydro-5-propyl-3,4,5,6-Tetrahydro-5-propyl-1,3,5-triazin-2(1H)-one
Database identifiers
- CAS
1771-03-5- PubChem CID
- 74489
- DTXSID
DTXSID10170248- EC Number
- 217-193-4
- Nikkaji
- J203.172H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 182 °C · 182 °C
- Boiling point
- 332.5 · 332.5±35.0 °C(Predicted)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- pka
- 14.65 · 14.65±0.20(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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