Basic information
- CAS
1910-89-0- Standard SMILES
CN1CNC(=O)NC1- InChIKey
HXUIEVOKAVDUIJ-UHFFFAOYSA-N- Molecular formula
- C4H9N3O
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.07456192
Overview
See also: 5-Methyl-(1,3,5)triazinan-2-one (annotation moved to).
Names & identifiers
- Preferred name
- 5-Methyl-1,3,5-triazinan-2-one
- IUPAC
- 5-methyl-1,3,5-triazinan-2-one
- English name
- 3,4,5,6-Tetrahydro-5-methyl-1,3,5-triazine-2(1H)-one
- Molecular formula
- C4H9N3O
- Molecular weight
- 115.13
Names & synonyms
5-methyl-1,3,5-triazinan-2-one1910-89-0Tetrahydro-5-methyl-s-triaz-2(1H)-oneYAG5K2397Y3,4,5,6-Tetrahydro-5-methyl-1,3,5-triazine-2(1H)-oneNSC-1916NSC-401612NSC1916UNII-YAG5K2397YSCHEMBL3193395DTXSID10172626NSC 1916
Show more names
5-Methylhexahydro-1,3,5-triazin-2-one
NSC401612AKOS003610884NSC 4016121-Methyl-4-oxohexahydro-1,3,5-triazineTetrahydro-5-methyl-1,3,5-triazin-2(1H)-one1,3,5-Triazin-2(1H)-one, tetrahydro-5-methyl-S-TRIAZIN-2(1H)-ONE, TETRAHYDRO-5-METHYL-TETRAHYDRO-5-METHYL-1,5-TRIAZINE-2(1H)-ONE
Database identifiers
- CAS
1910-89-0- PubChem CID
- 15947
- DTXSID
DTXSID10172626- UNII
- YAG5K2397Y
- Nikkaji
- J32.461B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 93.5
Physicochemical properties
- Melting point
- 199 °C · 199 °C (decomp)
- Boiling point
- 328 · 328.0±35.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.20(Predicted)
- FDA UNII
- 5 K2397Y · YAG5K2397Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…