N-(2-Pyridylmethyl)piperazine-1-ethylamine
Basic information
- CAS
6957-14-8- Standard SMILES
c1ccc(CNCCN2CCNCC2)nc1- InChIKey
KRQSKMDJMSKNLA-UHFFFAOYSA-N- Molecular formula
- C12H20N4
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.16879665
Names & identifiers
- Preferred name
- N-(2-Pyridylmethyl)piperazine-1-ethylamine
- IUPAC
- 2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
- English name
- N-(2-pyridylmethyl)piperazine-1-ethylamine
- Molecular formula
- C12H20N4
- Molecular weight
- 220.31
Names & synonyms
6957-14-8N-(2-Pyridylmethyl)piperazine-1-ethylamineNSC661832-(piperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamineN-(2-Pyridinylmethyl)-1-piperazineethanamineNSC-66183EINECS 230-143-6Cambridge id 5843465NCIStruc1_000352NCIStruc2_00035585MJ2J5MTNMLS000079784
Show more names
1-Piperazineethanamine, N-(2-pyridinylmethyl)-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
SCHEMBL5024742CHEMBL1410347DTXSID30219825KRQSKMDJMSKNLA-UHFFFAOYSA-NHMS2391D04NCI66183CCG-38197NCGC00013762
Database identifiers
- CAS
6957-14-8- PubChem CID
- 81406
- DTXSID
DTXSID30219825- ChEMBL
CHEMBL1410347- UNII
- 85MJ2J5MTN
- EC Number
- 230-143-6
- Nikkaji
- J265.999I
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 360.9 · 360.9±32.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- 9.19 · 9.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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