Basic information
- CAS
1017782-76-1- Standard SMILES
Nc1nc(Cl)cc(N2CCN(CCO)CC2)n1- InChIKey
IMQBEKPAFPSBCI-UHFFFAOYSA-N- Molecular formula
- C10H16ClN5O
- Average molar mass
- 257.72 g/mol
- Monoisotopic mass
- 257.1043378
Names & identifiers
- Preferred name
- 2-[4-(2-Amino-6-chloro-4-pyrimidinyl)piperazino]-1-ethanol
- IUPAC
- 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]ethanol
- English name
- 2-[4-(2-amino-6-chloro-4-pyrimidinyl)piperazino]-1-ethanol
- Molecular formula
- C10H16ClN5O
- Molecular weight
- 257.72
Names & synonyms
1017782-76-12-[4-(2-amino-6-chloro-4-pyrimidinyl)piperazino]-1-ethanol2-(4-(2-Amino-6-chloropyrimidin-4-yl)piperazin-1-yl)ethanol2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]ethanol2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]ethan-1-olMFCD099722482-[4-(2-amino-6-chloro-4-pyrimidinyl) piperazino]-1-ethanolDTXSID701211724SBB101924STL090067AKOS005073581MB-0720
Show more names
1-Piperazineethanol, 4-(2-amino-6-chloro-4-pyrimidinyl)-
4-(2-Amino-6-chloro-4-pyrimidinyl)-1-piperazineethanolZ2857545342-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-yl]ethanol2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazinyl]ethan-1-ol
Database identifiers
- CAS
1017782-76-1- PubChem CID
- 25918924
- DTXSID
DTXSID701211724
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 179 · 179-°180°
- Boiling point
- 526.6 · 526.6±60.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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