Basic information
- CAS
556-72-9- Standard SMILES
CC1=NC(C)(C)NC(C)(C)C1- InChIKey
PIFBMJMXJMZZRG-UHFFFAOYSA-N- Molecular formula
- C9H18N2
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.14699858
Names & identifiers
- Preferred name
- Acetonin
- IUPAC
- 2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine
- English name
- 2 2 4 4 6-Pentamethyl-2 3 4 5-tetrahydropyrimidine
- Molecular formula
- C9H18N2
- Molecular weight
- 154.25
Names & synonyms
AcetoninAcetonine556-72-9Pyrimidine, 1,2,5,6-tetrahydro-2,2,4,6,6-pentamethyl-AVP0X7K1TCEINECS 209-139-31,2,5,6-Tetrahydro-2,2,4,6,6-pentamethylpyrimidineBRN 01152472,2,4,6,6-Pentamethyltetrahydro pyrimidineDTXSID0060309Pyrimidine, 2,2,4,6,6-pentamethyl tetrahydro-5-23-04-00066 (Beilstein Handbook Reference)
Show more names
2,2,4,6,6-pentamethyltetrahydropyrimidine2,2,4,6,6-pentamethyltetrahydro-pyrimidin2 2 4 4 6-Pentamethyl-2 3 4 5-tetrahydropyrimidine2,2,4,6,6-PENTAMETHYL-2,3,4,5-TETRA-HYDROPYRIMIDINE
RefChem:552402DTXCID10419202,2,4,6,6-pentamethyl-1,5-dihydropyrimidine2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine2,3,4,5-Tetrahydro-2,2,4,4,6-pentamethylpyrimidine2,2,4,4,6-PENTAMETHYL-2,3,4,5-TETRAHYDROPYRIMIDINEUNII-AVP0X7K1TCSCHEMBL6130803
Database identifiers
- CAS
556-72-9- PubChem CID
- 68396
- DTXSID
DTXSID0060309- UNII
- AVP0X7K1TC
- EC Number
- 209-139-3
- Nikkaji
- J13.751K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 269.1 °C · 269.1°C (rough estimate)
- Density
- 0.9617 · 0.9617 (rough estimate)
- refractive index
- 1.4706 · 1.4706 (estimate)
- color
- Pale-yellow liquid
- Odor
- ammoniacal odor
- FDA UNII
- 0 X7K1TC · AVP0X7K1TC
- EPA Substance Registry System
- 1 · Pyrimidine, 1,2,5,6-tetrahydro-2,2,4,6,6-pentamethyl- (556-72-9)
- TSCA
- TSCA listed
- Toxicity
- 1000 mg/kg · LDLo orl-rat: 1000 mg/kg SCCUR* -,8,61
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
- Toxicity
- LDLo orl-rat: 1000 mg/kg SCCUR* -,8,61
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrimidine, 1,2,5,6-tetrahydro-2,2,4,6,6-pentamethyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
24 records
Compound notes
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