Basic information
- CAS
4417-88-3- Standard SMILES
CC(C)(CO)C(O)C(=O)NCCO- InChIKey
HTIYIYUVBMDKNV-UHFFFAOYSA-N- Molecular formula
- C8H17NO4
- Average molar mass
- 191.22 g/mol
- Monoisotopic mass
- 191.11575802
Names & identifiers
- Preferred name
- 2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
- IUPAC
- 2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
- English name
- Butanamide, 2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethyl-
- Molecular formula
- C8H17NO4
- Molecular weight
- 191.22
Names & synonyms
2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethylbutanamide4417-88-3NSC407324SCHEMBL6676445DTXSID40324631EAA41788AKOS026359490NSC-407324EN300-180594G59223Z1509156617Butanamide, 2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethyl-
Database identifiers
- CAS
4417-88-3- PubChem CID
- 348167
- DTXSID
DTXSID40324631
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 482.7 · 482.7±45.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 12.98 · 12.98±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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