2-[(Dimethylamino)methyl]-1-(2-hydroxyethyl)piperidin-3-ol
Basic information
- CAS
200130-64-9- Standard SMILES
CN(C)CC1C(O)CCCN1CCO- InChIKey
VXJLLDYPQBOSOV-UHFFFAOYSA-N- Molecular formula
- C10H22N2O2
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.16812795
Names & identifiers
- Preferred name
- 2-[(Dimethylamino)methyl]-1-(2-hydroxyethyl)piperidin-3-ol
- IUPAC
- 2-[(dimethylamino)methyl]-1-(2-hydroxyethyl)piperidin-3-ol
- English name
- 2-(Dimethylaminomethyl)-3-hydroxy-1-(2-hydroxyethyl)piperidine
- Molecular formula
- C10H22N2O2
- Molecular weight
- 202.29
Names & synonyms
2-[(dimethylamino)methyl]-1-(2-hydroxyethyl)piperidin-3-olNSC88619SCHEMBL58786392-(dimethylaminomethyl)-3-hydroxy-1-(2-hydroxyethyl)piperidineNSC-88619AKOS024323252ST504436281-Piperidineethanol, 2-[(dimethylamino)methyl]-3-hydroxy-
Database identifiers
- CAS
200130-64-9- PubChem CID
- 259090
- EC Number
- 119-392-0
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 320.781 · 320.781±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.688 · 14.688±0.40(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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