1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-
Basic information
- CAS
16356-33-5- Standard SMILES
CCCCN1CN(CO)C(=O)N(CO)C1- InChIKey
DIXQPRZAXALJGY-UHFFFAOYSA-N- Molecular formula
- C9H19N3O3
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.14264148
Names & identifiers
- Preferred name
- 1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-
- IUPAC
- 5-butyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one
- English name
- 5-butyltetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
- Molecular formula
- C9H19N3O3
- Molecular weight
- 217.27
Names & synonyms
5-Butyltetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-oneEINECS 240-417-71,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-DTXSID0066036s-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-RefChem:72297DTXCID0035247240-417-716356-33-55-butyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-oneDIXQPRZAXALJGY-UHFFFAOYSA-NSCHEMBL4344570
Show more names
NS00025340
Database identifiers
- CAS
16356-33-5- PubChem CID
- 85379
- DTXSID
DTXSID0066036- EC Number
- 240-417-7
- Nikkaji
- J286.872E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 380.5 · 380.5±42.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)- (16356-33-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-: INACTIVE
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Compound notes
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