Basic information
- CAS
25941-41-7- Standard SMILES
CCC(CO)(CO)CN(C)C- InChIKey
PBIHVCKVWPFHMN-UHFFFAOYSA-N- Molecular formula
- C8H19NO2
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.14157885
Names & identifiers
- Preferred name
- 2-[(Dimethylamino)methyl]-2-ethylpropane-1,3-diol
- IUPAC
- 2-[(dimethylamino)methyl]-2-ethylpropane-1,3-diol
- English name
- 2-[(dimethylamino)methyl]-2-ethylpropane-1,3-diol
- Molecular formula
- C8H19NO2
- Molecular weight
- 161.24
Names & synonyms
25941-41-72-[(dimethylamino)methyl]-2-ethylpropane-1,3-diol2-((Dimethylamino)methyl)-2-ethylpropane-1,3-diolEINECS 247-354-4SCHEMBL6761299DTXSID70180606NS000279952-ethyl-2-dimethylamino methyl-propane-1,3-diol2-[(Dimethylamino)methyl]-2-ethyl-1,3-propanediol1,3-Propanediol, 2-[(dimethylamino)methyl]-2-ethyl-
Database identifiers
- CAS
25941-41-7- PubChem CID
- 117672
- DTXSID
DTXSID70180606- EC Number
- 247-354-4
- Nikkaji
- J308.349G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 122 · 122-124 °C(Press: 0.9 Torr)
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
- pka
- 14.27 · 14.27±0.10(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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