3-(Piperazin-1-yl)propane-1,2-diol
Basic information
- CAS
7483-59-2- Standard SMILES
OCC(O)CN1CCNCC1- InChIKey
UXQHRRWIFFJGMQ-UHFFFAOYSA-N- Molecular formula
- C7H16N2O2
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.12117775
Names & identifiers
- Preferred name
- 3-(Piperazin-1-yl)propane-1,2-diol
- IUPAC
- 3-piperazin-1-ylpropane-1,2-diol
- English name
- 3-(1-Piperazinyl)-1,2-propanediol
- Molecular formula
- C7H16N2O2
- Molecular weight
- 160.21
Names & synonyms
7483-59-23-(1-Piperazinyl)-1,2-propanediol3-(Piperazin-1-yl)propane-1,2-diol3-piperazin-1-ylpropane-1,2-diol3-(PIPERAZIN-1-YL)-1,2-PROPANEDIOLMFCD00078181(S)-3-(PIPERAZIN-1-YL)PROPANE-1,2-DIOL904896-44-2EINECS 231-288-81,2-Propanediol, 3-(1-piperazinyl)-(2S)-3-(PIPERAZIN-1-YL)PROPANE-1,2-DIOLSCHEMBL1361158
Show more names
N-(2,3-Dihydroxypropyl)piperazine
SCHEMBL1361161SCHEMBL3312165CHEMBL4455981DTXSID109963441-(2,3-dihydroxypropyl)piperazine1-(2,3-dihydroxypropyl) piperazineAKOS006229086DA-19843
Database identifiers
- CAS
7483-59-2- PubChem CID
- 111002
- DTXSID
DTXSID10996344- ChEMBL
CHEMBL4455981- EC Number
- 231-288-8
- Nikkaji
- J265.575F
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 70 °C · 70 °C
- Boiling point
- 146 °C · 146 °C(Press: 0.1 Torr)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- pka
- 14.21 · 14.21±0.20(Predicted)
- form
- solid
- InChI
- 1S/C7H16N2O2/c10-6-7(11)5-9-3-1-8-2-4-9/h7-8,10-11H,1-6H2
- InChIKey
- UXQHRRWIFFJGMQ-UHFFFAOYSA-N
- SMILES
- OC(CO)CN1CCNCC1
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Related reactions
20 records
Compound notes
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